data_6vga_residue ############################ # Computer software used # ############################ 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 6vga _Structure_validation_residue.Date_analyzed 2020-08-14 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 ' 22' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 2.6 tpm_? . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.734 -0.469 . . . . 3.78 109.734 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.62 138.06 44.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.0 -0.37 . . . . 2.32 110.0 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.3 136.64 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.649 -0.705 . . . . 1.2 110.352 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.6 t -124.18 117.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.613 -0.514 . . . . 1.16 109.613 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' ' 50' ' ' ILE . 37.4 mt -112.13 116.13 29.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.177 -0.465 . . . . 1.92 110.008 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.1 tt -105.88 126.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.03 -0.532 . . . . 1.93 111.028 -173.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -102.35 96.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.922 -0.581 . . . . 1.75 110.286 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -174.13 173.83 3.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 3.47 110.314 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -136.06 83.16 1.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.148 -1.056 . . . . 5.35 108.148 167.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 24.6 t70 -126.43 168.65 13.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 2.29 110.348 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.5 mppt? -91.57 -69.38 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.772 -0.371 . . . . 4.11 110.446 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.14 -44.46 94.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.731 -0.668 . . . . 3.66 112.326 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 37.2 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 1.98 110.726 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.74 -34.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 1.68 110.554 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 43.7 mt-10 -58.77 -62.61 1.74 Allowed 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.119 -0.326 . . . . 2.42 110.119 173.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.28 -35.55 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 2.53 111.52 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -49.66 63.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.309 -0.405 . . . . 1.23 110.659 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 74.1 ttt180 -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 3.24 111.19 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.19 -36.12 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.03 0.443 . . . . 2.95 110.621 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.459 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 92.8 mmm -67.19 -46.74 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.902 -0.59 . . . . 3.09 110.181 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 1.39 111.842 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 78.1 mm-40 -58.99 -44.85 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 2.57 111.149 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.53 -10.94 59.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.3 -0.409 . . . . 3.4 111.822 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.494 ' C ' HD21 ' A' ' 46' ' ' ASN . . . -119.06 22.57 11.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.704 -0.225 . . . . 1.28 110.935 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.494 HD21 ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 38.72 48.1 1.27 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.041 1.336 . . . . 2.82 113.207 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.6 mt -101.57 144.99 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.56 -0.746 . . . . 1.77 109.603 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.9 98.44 10.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.671 -0.492 . . . . 2.13 109.671 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.4 tt -110.13 124.71 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.043 0.449 . . . . 2.03 110.487 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.454 ' HB ' HD21 ' A' ' 26' ' ' LEU . 65.9 mt -120.61 134.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.49 -0.777 . . . . 1.95 110.258 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -81.5 121.98 26.97 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.889 -0.596 . . . . 1.86 111.345 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 53' ' ' PRO . 70.9 t -109.29 142.07 24.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.969 -0.56 . . . . 2.44 110.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.595 ' O ' HG12 ' A' ' 52' ' ' VAL . 10.6 Cg_endo -54.64 161.03 6.37 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.765 2.31 . . . . 3.15 111.534 169.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.39 13.58 0.17 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.53 0.972 . . . . 2.89 115.53 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 p -100.83 129.55 27.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.916 0.858 . . . . 1.96 110.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.46 -34.56 12.03 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.356 2.704 . . . . 1.5 113.921 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -65.57 -38.77 90.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 2.7 110.501 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.27 -45.75 76.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.605 -0.725 . . . . 2.3 110.706 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' A' ' 52' ' ' VAL . . . -64.27 -50.42 68.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.725 -0.67 . . . . 1.43 111.755 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 95' ' ' ALA . 45.0 mm -65.5 -40.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 1.65 111.174 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -66.1 -31.49 72.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.049 -0.26 . . . . 3.82 110.618 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.68 -37.68 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.804 -0.443 . . . . 1.82 109.804 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.19 86.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 1.23 110.399 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.87 -42.04 88.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.777 -0.647 . . . . 2.65 110.474 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 56.6 mm-40 -66.89 -50.76 61.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.378 . . . . 2.21 110.941 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.08 -44.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.693 -0.231 . . . . 1.23 111.203 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.82 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 1.28 110.934 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -58.03 -53.04 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 2.46 111.145 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.9 mttm -85.91 12.84 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.649 -0.705 . . . . 2.89 111.223 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 126.07 56.59 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.267 -0.424 . . . . 1.43 111.069 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.32 107.98 2.57 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.971 1.781 . . . . 1.67 111.038 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.64 -166.04 24.99 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.73 -0.748 . . . . 0.91 112.299 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -79.61 136.17 12.09 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.135 2.557 . . . . 1.19 112.461 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 22' ' ' ARG . 12.8 m -130.49 163.17 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 2.13 110.789 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HA ' HD21 ' A' ' 103' ' ' ASN . 65.1 mttm -129.37 118.54 22.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.975 -0.75 . . . . 3.02 108.975 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.502 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.3 t -112.11 128.45 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.153 0.501 . . . . 1.87 111.326 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.78 127.12 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.648 -0.706 . . . . 1.91 109.862 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.43 129.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.02 -0.363 . . . . 1.67 110.02 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -117.49 110.69 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.73 0.3 . . . . 2.09 111.132 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -93.57 127.08 45.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.653 -0.499 . . . . 2.06 109.653 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 20.5 m -97.7 132.81 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.086 0.402 . . . . 2.46 112.086 -174.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.6 -151.04 26.12 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.73 -0.668 . . . . 1.49 113.054 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 t -96.7 138.36 34.38 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.017 -0.364 . . . . 2.51 110.017 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.66 130.59 46.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.215 -0.448 . . . . 1.45 110.367 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.48 158.19 74.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.942 -0.392 . . . . 2.07 109.942 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.7 -48.45 12.18 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.935 2.423 . . . . 1.57 112.02 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.72 -48.92 78.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 2.43 110.987 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.99 -42.32 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 2.37 110.459 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.12 -38.28 87.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.65 -0.705 . . . . 3.31 110.472 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -63.79 -42.73 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.74 110.091 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.04 -46.28 88.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 2.79 110.636 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 1.31 110.659 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -67.25 -53.76 27.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 2.86 110.637 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.95 -39.51 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 3.33 110.801 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' HB3' HG23 ' A' ' 60' ' ' ILE . . . -63.8 -44.54 92.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 1.2 111.31 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.51 78.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.787 0.327 . . . . 1.25 110.964 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.53 -44.94 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.341 -0.614 . . . . 2.62 109.341 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -70.85 -47.57 58.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.664 . . . . 2.66 110.481 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -59.84 -23.75 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 1.18 112.489 -175.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -55.74 -35.65 66.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 4.33 110.656 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -80.05 -11.4 59.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 3.62 110.974 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -100.95 11.73 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.005 -0.543 . . . . 3.63 109.941 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.435 HD21 ' HA ' ' A' ' 75' ' ' LYS . 3.1 t30 63.14 42.84 6.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.21 -0.905 . . . . 2.49 110.299 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 76' ' ' VAL . 22.0 t -117.97 136.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 1.56 109.92 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -125.29 136.36 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 4.67 110.271 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.53 128.88 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.073 -0.512 . . . . 2.17 110.694 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -128.31 151.3 49.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.737 0.304 . . . . 3.48 110.409 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -97.36 136.78 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 1.4 110.672 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.2 m -126.09 148.33 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.481 . . . . 2.18 110.373 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 p -120.57 -41.09 2.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.164 0.507 . . . . 1.97 110.753 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 49.5 m -120.53 158.11 52.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.654 . . . . 1.95 109.77 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HA ' HD11 ' A' ' 34' ' ' LEU . 32.2 Cg_exo -61.49 -19.89 66.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.631 2.221 . . . . 1.29 112.318 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.79 -43.76 87.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 2.48 110.46 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.48 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 8.2 mp0 -66.29 -47.17 74.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 2.7 110.536 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.23 -50.64 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 1.32 110.74 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.459 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 40.2 ttmt -56.76 -40.46 75.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.84 110.615 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.481 ' HD2' ' CZ3' ' A' ' 118' ' ' TRP . 38.5 ttm180 -65.06 -49.81 68.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 4.3 111.271 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.481 ' CZ3' ' HD2' ' A' ' 117' ' ' ARG . 2.2 m95 -63.72 -34.89 78.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.436 -0.347 . . . . 4.07 110.527 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.18 -35.22 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.196 -0.456 . . . . 1.44 110.35 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.88 -52.74 61.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 3.15 110.777 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.37 -35.28 80.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.108 0.48 . . . . 2.57 110.855 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -75.15 -25.06 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 3.77 111.022 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.2 t -59.53 -71.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.87 111.827 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 4.14 111.128 -177.39 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.032 0.444 . . . . 3.78 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HB3' HD21 ' A' ' 47' ' ' LEU . 4.5 tt -104.86 128.04 52.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.85 -0.796 . . . . 2.32 108.85 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' N ' HD23 ' A' ' 23' ' ' LEU . 47.2 t -106.51 127.25 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.757 -0.656 . . . . 1.2 110.172 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.9 119.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.827 0.346 . . . . 1.16 110.874 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -105.75 109.79 21.87 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.18 -0.674 . . . . 1.92 109.18 173.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 138.23 38.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.689 -0.485 . . . . 1.93 109.689 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -87.8 129.66 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.216 -0.447 . . . . 1.75 109.94 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -58.76 150.92 22.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.869 -0.605 . . . . 3.47 112.278 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.63 ' ND2' HG21 ' A' ' 81' ' ' THR . 4.7 p30 -179.21 -170.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 5.35 107.968 -171.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -43.88 133.5 4.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.46 0.648 . . . . 2.29 111.186 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -53.25 -27.25 21.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.821 -1.082 . . . . 4.11 113.594 -172.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -61.73 -46.04 91.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.96 0.41 . . . . 3.66 111.129 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 3.2 tm? -68.33 -42.24 79.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.98 110.309 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.46 HD12 ' H ' ' A' ' 30' ' ' ASN . 52.6 mt -62.11 -48.96 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.68 110.891 -178.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.09 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 2.42 111.436 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.78 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 2.53 110.304 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.35 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 1.23 110.361 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -60.93 -41.45 96.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 3.24 110.764 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HZ1' ' HB3' ' A' ' 40' ' ' LYS . 9.6 mtpm? -60.06 -47.14 87.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 2.95 110.91 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 92.7 mmm -63.65 -37.46 87.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 3.09 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.48 55.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 1.39 110.854 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.37 -19.05 61.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.323 . . . . 2.57 111.251 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -66.58 -41.38 88.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 3.4 110.363 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.82 43.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 1.28 111.057 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 61.64 49.16 5.17 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.451 -0.795 . . . . 2.82 111.466 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 23' ' ' LEU . 17.0 mt -105.58 159.06 16.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 1.77 109.871 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.84 113.05 24.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.318 -0.253 . . . . 2.13 110.318 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -115.72 140.74 48.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 2.03 111.088 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' ' 26' ' ' LEU . 84.9 mt -130.8 131.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.556 -0.747 . . . . 1.95 109.819 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.9 m -93.02 109.71 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.425 . . . . 1.86 110.013 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 53' ' ' PRO . 6.2 m -89.0 168.98 14.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.526 . . . . 2.44 111.288 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.623 ' O ' HG22 ' A' ' 52' ' ' VAL . 10.0 Cg_endo -54.64 159.47 8.73 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.613 2.208 . . . . 3.15 111.622 167.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.65 10.26 4.11 Favored Glycine 0 C--N 1.318 -0.428 0 CA-C-N 115.811 -0.631 . . . . 2.89 114.282 -173.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -100.04 137.31 20.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 117.412 0.606 . . . . 1.96 110.72 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.74 -27.38 21.88 Favored 'Trans proline' 0 N--CA 1.466 -0.106 0 C-N-CA 123.24 2.626 . . . . 1.5 112.379 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 11.2 tp10 -59.78 -56.61 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 2.7 110.14 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.21 -29.29 70.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.437 -0.801 . . . . 2.3 111.502 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.52 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 1.43 111.006 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.8 -35.06 35.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 1.65 110.719 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 80.2 mtp180 -62.2 -39.06 91.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 3.82 110.506 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -52.26 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.82 109.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.81 94.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.238 -0.892 . . . . 1.23 111.562 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.39 -37.2 82.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.544 -0.753 . . . . 2.65 110.681 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.04 -51.62 37.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 2.21 110.597 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.44 -42.2 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 1.23 111.434 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.15 94.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.972 0.415 . . . . 1.28 111.191 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -67.65 -45.33 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 2.46 110.625 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 18.93 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.693 -0.685 . . . . 2.89 111.56 -174.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.6 116.73 66.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.63 -0.259 . . . . 1.43 110.582 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.35 107.67 1.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.203 1.935 . . . . 1.67 111.738 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.32 -149.26 18.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.012 -0.614 . . . . 0.91 112.379 176.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.27 142.84 21.75 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.647 2.231 . . . . 1.19 111.957 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -153.72 144.4 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 2.13 110.55 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -128.57 123.96 34.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.502 -0.555 . . . . 3.02 109.502 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.7 133.89 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.846 0.355 . . . . 1.87 110.98 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 105' ' ' ARG . 48.6 tp -119.43 130.35 55.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.901 -0.59 . . . . 1.91 109.72 177.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.92 127.53 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.681 0.277 . . . . 1.67 110.374 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 79' ' ' LEU . 2.8 mm? -112.49 100.02 8.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 2.09 110.923 -176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -80.8 124.63 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.322 -0.622 . . . . 2.06 109.322 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.63 HG21 ' ND2' ' A' ' 30' ' ' ASN . 17.8 p -87.51 143.72 27.07 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 2.46 112.401 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 -136.66 15.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.571 -0.74 . . . . 1.49 111.988 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 141.49 45.42 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.56 -0.533 . . . . 2.51 109.56 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.66 109.76 21.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.913 0.387 . . . . 1.45 110.528 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.418 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 28.1 m-20 -72.18 161.65 77.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.78 -0.646 . . . . 2.07 110.258 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 85' ' ' ASP . 68.5 Cg_exo -42.31 -50.71 5.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.494 2.796 . . . . 1.57 114.348 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.99 -48.03 59.81 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.866 0.365 . . . . 2.43 110.836 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.79 -43.4 80.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.784 -0.644 . . . . 2.37 110.667 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -65.88 -40.34 91.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.522 -0.763 . . . . 3.31 110.656 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.4 m -69.6 -42.49 74.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 1.74 110.976 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 97.5 mttt -62.29 -40.6 96.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 2.79 110.719 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.84 76.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.924 -0.58 . . . . 1.31 109.936 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 25.9 ttpp -61.43 -53.79 51.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 2.86 111.361 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 21.3 pttp -57.87 -36.3 72.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.907 0.384 . . . . 3.33 111.227 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.58 32.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.228 -0.442 . . . . 1.2 110.75 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 1.25 110.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 45.9 mt-10 -66.28 -29.89 70.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.225 -0.443 . . . . 2.62 110.391 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -76.56 -40.26 50.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 2.66 109.768 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.49 -14.18 60.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.725 -0.67 . . . . 1.18 111.527 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.21 -23.7 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 4.33 110.736 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.04 -16.46 61.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.9 -0.591 . . . . 3.62 111.261 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -119.25 12.12 12.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.093 0.473 . . . . 3.63 110.766 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 60.29 72.67 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.924 -1.035 . . . . 2.49 111.284 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.27 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 1.56 109.625 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.584 ' O ' HD11 ' A' ' 77' ' ' LEU . 5.7 tpm_? -86.95 99.96 12.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.893 -0.594 . . . . 4.67 110.858 -173.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -94.68 135.69 28.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 2.17 110.186 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -150.06 163.8 37.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 3.48 110.302 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 m -101.89 132.09 47.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.201 -0.454 . . . . 1.4 111.276 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 115' ' ' ALA . 75.1 t -113.89 113.29 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.511 -0.768 . . . . 2.18 110.289 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -101.57 -26.03 13.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.398 0.618 . . . . 1.97 109.829 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 13.3 p -128.33 137.66 31.35 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.584 -0.735 . . . . 1.95 110.07 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 53.7 Cg_exo -52.73 -27.83 35.46 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.635 2.89 . . . . 1.29 113.737 -177.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.15 -35.59 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 2.48 110.819 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.44 -57.06 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 2.7 110.583 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' ' 109' ' ' VAL . . . -53.25 -45.63 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.455 -0.338 . . . . 1.32 110.992 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -64.13 -36.98 85.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 2.84 111.442 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -80.91 -39.15 26.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.552 -0.459 . . . . 4.3 111.134 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -70.89 -37.6 73.0 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 111.601 0.223 . . . . 4.07 111.601 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.07 -39.63 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.094 0.473 . . . . 1.44 109.792 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.47 ' HB3' ' HZ2' ' A' ' 120' ' ' LYS . 6.0 ttpm? -69.53 -41.14 76.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 3.15 110.841 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.94 -41.09 83.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.729 0.299 . . . . 2.57 111.17 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -73.59 -21.69 60.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.167 0.508 . . . . 3.77 110.324 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -87.28 -47.51 8.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 1.87 111.025 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 4.14 109.994 -173.818 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NH2' ' HB2' ' A' ' 48' ' ' GLU . 26.5 tpt180 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.907 0.384 . . . . 3.78 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.59 124.0 50.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 2.32 109.458 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 48.5 t -121.05 147.22 25.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 1.2 110.664 -174.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 40.5 t -125.73 126.45 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.98 -0.378 . . . . 1.16 109.98 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -116.39 123.21 47.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.85 -0.426 . . . . 1.92 109.85 175.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 tt -120.54 147.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.156 -0.474 . . . . 1.93 110.426 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.2 t -88.25 134.04 29.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.251 -0.648 . . . . 1.75 109.251 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.6 m -60.11 114.9 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.481 . . . . 3.47 111.755 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -134.52 -171.35 2.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 5.35 108.565 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -46.64 145.09 2.0 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.571 0.701 . . . . 2.29 112.495 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -36.84 -51.97 0.91 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 113.965 -1.47 . . . . 4.11 114.667 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.93 -34.4 78.32 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.249 0.463 . . . . 3.66 112.249 -170.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 63.0 tp -64.58 -46.81 81.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.833 0.349 . . . . 1.98 110.427 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -32.2 53.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 1.68 110.39 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 22.9 mm-40 -70.62 -63.44 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.496 . . . . 2.42 110.908 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.1 -41.53 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.001 0.371 . . . . 2.53 112.001 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 1.23 110.992 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -77.44 -32.01 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.409 -0.359 . . . . 3.24 110.693 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 28.6 mtpp -65.2 -34.02 77.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.847 0.356 . . . . 2.95 110.405 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.9 mmm -70.22 -38.77 75.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 3.09 110.107 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -63.61 -44.23 94.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.661 -0.7 . . . . 1.39 110.61 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.27 -27.22 68.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.576 . . . . 2.57 110.556 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.11 -59.87 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 3.4 110.901 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.71 20.2 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.308 0.484 . . . . 1.28 112.308 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 63.37 67.77 0.64 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.391 0.615 . . . . 2.82 111.372 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 42' ' ' ALA . 2.5 mm? -119.05 142.27 48.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.004 -0.544 . . . . 1.77 109.788 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 36.3 tt0 -88.63 103.49 15.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.125 -0.694 . . . . 2.13 109.125 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.608 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.3 tt -105.95 135.68 46.97 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.896 -0.322 . . . . 2.03 111.12 -174.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.36 134.14 67.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.191 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -92.43 128.14 38.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.592 -0.276 . . . . 1.86 110.786 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 53' ' ' PRO . 4.5 m -112.33 167.52 9.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.757 -0.201 . . . . 2.44 111.414 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.62 ' O ' HG22 ' A' ' 52' ' ' VAL . 9.9 Cg_endo -55.39 160.52 8.69 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.002 2.468 . . . . 3.15 112.224 168.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.99 32.94 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.101 -0.954 . . . . 2.89 114.821 -172.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 m -91.6 132.23 33.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.641 0.721 . . . . 1.96 111.087 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.543 ' O ' HG12 ' A' ' 60' ' ' ILE . 63.2 Cg_endo -69.62 -24.63 30.12 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 123.06 2.507 . . . . 1.5 113.11 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.42 -37.54 86.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 2.7 110.643 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.02 -39.32 75.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 2.3 109.928 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -59.45 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.523 -0.762 . . . . 1.43 111.191 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 56' ' ' PRO . 31.7 mm -65.83 -48.49 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.29 -0.414 . . . . 1.65 110.912 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -61.88 -40.71 96.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 3.82 111.197 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -62.13 -49.92 73.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 1.82 109.485 177.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -64.72 -32.79 74.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.386 . . . . 1.23 111.624 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.18 -40.21 95.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.156 0.503 . . . . 2.65 109.736 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.517 ' HB3' ' HZ2' ' A' ' 69' ' ' LYS . 49.8 mt-10 -71.33 -33.57 69.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.796 -0.638 . . . . 2.21 110.866 176.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 63' ' ' ALA . 32.9 mm -49.59 -58.38 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 CA-C-O 120.872 0.368 . . . . 1.23 110.499 174.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.66 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.62 -0.718 . . . . 1.28 111.18 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.64 -33.85 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 2.46 111.234 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.517 ' HZ2' ' HB3' ' A' ' 65' ' ' GLU . 24.7 mttp -100.83 6.17 43.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 2.89 111.173 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.44 131.35 44.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.666 -0.243 . . . . 1.43 111.052 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -83.04 108.39 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.432 2.088 . . . . 1.67 112.336 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.08 -163.63 17.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.781 -0.723 . . . . 0.91 112.633 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.0 120.65 7.93 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.965 2.443 . . . . 1.19 111.673 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.52 142.86 37.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.255 -0.429 . . . . 2.13 111.385 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.42 136.9 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.706 -0.679 . . . . 3.02 109.476 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 5.8 p -128.82 133.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.229 0.538 . . . . 1.87 111.132 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.3 tp -103.83 123.85 47.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.594 -0.73 . . . . 1.91 110.33 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -103.76 120.4 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 1.67 110.238 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.9 mm? -99.87 103.53 15.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 2.09 110.207 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -83.97 117.75 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 2.06 109.64 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.1 p -83.71 119.17 24.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 2.46 111.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.17 -177.24 47.5 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.889 -0.672 . . . . 1.49 112.225 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -85.89 130.12 34.64 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.069 -0.345 . . . . 2.51 110.069 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.91 115.66 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 1.45 110.804 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.52 160.59 75.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 2.07 110.571 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -37.56 -50.84 1.78 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.11 3.207 . . . . 1.57 115.288 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.48 -47.7 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.944 -0.302 . . . . 2.43 110.798 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.67 -42.46 92.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.313 0.578 . . . . 2.37 109.835 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.8 -39.44 91.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.086 -0.961 . . . . 3.31 109.998 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.7 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 1.74 110.821 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.35 -41.69 80.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 2.79 110.471 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.51 -45.08 61.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.782 -0.645 . . . . 1.31 111.454 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -62.18 -34.31 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.646 0.26 . . . . 2.86 111.577 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.69 -51.38 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 3.33 110.525 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.63 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 1.2 111.292 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -66.17 -29.49 69.78 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.42 -0.355 . . . . 1.25 110.955 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.02 -45.09 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.976 0.417 . . . . 2.62 109.993 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -65.94 -49.14 69.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 2.66 110.374 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.79 -16.9 62.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 1.18 111.99 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 39.8 ttm180 -59.08 -27.17 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 4.33 111.323 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -62.18 -29.38 70.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.205 0.526 . . . . 3.62 110.392 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -90.28 18.82 5.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 3.63 110.551 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 66.62 29.68 8.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.816 -0.629 . . . . 2.49 111.28 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.422 HG22 ' CG1' ' A' ' 76' ' ' VAL . 98.3 t -82.77 111.97 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 1.56 109.683 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -104.67 130.97 52.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 4.67 109.946 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.3 m -109.82 126.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 2.17 111.234 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 4.1 mmp_? -129.48 142.45 50.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.199 -0.455 . . . . 3.48 110.128 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.2 m -90.47 129.44 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 1.4 110.426 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.8 t -125.61 126.73 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.16 -0.473 . . . . 2.18 110.737 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.1 p -113.44 -26.94 8.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.975 0.417 . . . . 1.97 110.709 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.4 p -130.3 146.51 61.93 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-O 121.093 0.473 . . . . 1.95 110.446 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.493 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 13.0 Cg_endo -56.43 -26.62 63.96 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.895 3.064 . . . . 1.29 114.037 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 22.7 t70 -66.08 -34.25 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 2.48 110.482 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.18 -47.77 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 2.7 110.491 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.97 -51.84 66.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.32 111.17 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -68.97 -21.73 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 2.84 110.94 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.4 tmm_? -74.93 -49.12 21.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.536 -0.542 . . . . 4.3 109.536 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -59.72 -54.43 46.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.166 -0.47 . . . . 4.07 110.718 177.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.7 mt -55.53 -39.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 1.44 111.228 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -59.57 -41.97 91.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.326 . . . . 3.15 111.108 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -38.17 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.513 -0.312 . . . . 2.57 111.577 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.45 -21.5 63.72 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.084 -0.246 . . . . 3.77 111.373 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.3 m -81.72 -36.05 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.899 -0.408 . . . . 1.87 109.899 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.805 -0.634 . . . . 4.14 109.837 177.756 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.877 0.37 . . . . 3.78 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CB ' HD23 ' A' ' 47' ' ' LEU . 2.8 mm? -107.17 99.83 9.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.748 -0.66 . . . . 2.32 109.293 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.5 t -98.93 116.25 41.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.223 -0.444 . . . . 1.2 111.004 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 13.9 t -109.91 115.33 49.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.559 -0.534 . . . . 1.16 109.559 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 32.5 mt -113.56 125.59 54.35 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.774 -0.454 . . . . 1.92 109.774 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.85 130.5 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.835 0.35 . . . . 1.93 111.208 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.82 97.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 1.75 109.742 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -172.15 149.2 2.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.848 -0.615 . . . . 3.47 109.665 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -115.73 77.49 1.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.295 1.045 . . . . 5.35 109.126 166.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.9 t70 -128.17 110.35 12.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.233 -1.349 . . . . 2.29 108.176 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 pttt -56.56 -32.11 64.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.885 0.698 . . . . 4.11 112.885 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -79.71 -50.43 10.62 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.71 -0.396 . . . . 3.66 111.026 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 36.7 tp -55.56 -43.64 76.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 1.98 110.831 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.35 -52.27 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 1.68 111.335 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 8.9 pt-20 -73.75 -40.02 63.81 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.26 -0.576 . . . . 2.42 111.65 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 41' ' ' MET . 70.0 mm-40 -58.89 -44.92 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 2.53 110.934 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 1.23 110.867 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.69 -46.35 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.296 -0.562 . . . . 3.24 110.285 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 89.9 mttt -48.82 -50.66 33.39 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.345 0.403 . . . . 2.95 111.239 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 15.8 ptm -71.24 -41.34 70.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 3.09 111.783 -177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.16 56.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 1.39 111.412 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.41 -26.2 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 2.57 110.322 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -69.65 -34.1 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.788 -0.449 . . . . 3.4 109.788 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.35 9.56 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 1.28 110.809 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.81 32.83 5.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.554 -0.748 . . . . 2.82 111.26 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.553 HD11 ' OG ' ' A' ' 123' ' ' SER . 11.6 mt -95.93 166.09 11.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.852 -0.796 . . . . 1.77 108.852 173.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.59 103.46 12.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.639 0.733 . . . . 2.13 110.031 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.8 tt -105.57 121.69 44.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.646 -0.706 . . . . 2.03 109.906 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.408 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 66.6 mt -117.5 132.34 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.606 -0.724 . . . . 1.95 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -84.43 123.97 30.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.069 -0.514 . . . . 1.86 110.557 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.6 t -99.71 144.97 29.32 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.88 -0.6 . . . . 2.44 110.134 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.563 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -49.75 160.59 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.61 2.206 . . . . 3.15 111.124 166.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.13 11.47 1.41 Allowed Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.796 -0.638 . . . . 2.89 114.537 -169.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -96.18 114.7 64.75 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 117.475 0.638 . . . . 1.96 109.547 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.52 ' HG2' ' HB3' ' A' ' 88' ' ' GLU . 53.6 Cg_exo -61.17 -30.33 88.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.096 2.531 . . . . 1.5 112.678 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 91' ' ' LYS . 9.9 pt-20 -65.3 -37.43 87.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 2.7 110.992 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.96 -36.97 78.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 2.3 110.05 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.76 -48.21 82.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.694 . . . . 1.43 112.216 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 56' ' ' PRO . 16.4 mm -64.71 -38.32 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.21 0.529 . . . . 1.65 110.132 -177.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 98.5 mtt180 -68.85 -32.67 72.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.576 -0.738 . . . . 3.82 110.315 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -42.02 87.78 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.136 -0.69 . . . . 1.82 109.136 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.53 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.23 110.545 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.38 -39.4 79.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 2.65 110.658 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 10.7 mm-40 -63.25 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 2.21 110.856 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.62 -47.75 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 1.23 111.767 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.97 -38.63 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.602 0.593 . . . . 1.28 112.602 -172.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.7 -33.6 66.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.737 0.303 . . . . 2.46 110.992 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 67.4 mmtt -84.72 -13.37 51.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.806 -0.358 . . . . 2.89 110.743 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 74' ' ' VAL . . . -80.71 121.53 81.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.358 -0.383 . . . . 1.43 111.171 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 108.02 2.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.17 1.914 . . . . 1.67 111.86 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.07 -176.21 16.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.774 -0.727 . . . . 0.91 112.16 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.15 119.41 6.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.915 2.41 . . . . 1.19 111.848 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 70' ' ' ALA . 66.0 t -131.87 146.88 32.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.914 -0.585 . . . . 2.13 109.793 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 139.74 45.55 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.625 . . . . 3.02 109.314 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 28.2 t -122.05 137.03 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.38 -0.373 . . . . 1.87 110.624 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.2 109.32 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.531 -0.914 . . . . 1.91 108.531 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.1 p -103.76 123.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 121.587 0.708 . . . . 1.67 110.321 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 107' ' ' ARG . 79.2 mt -107.2 108.41 19.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.202 -0.908 . . . . 2.09 110.566 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 pt -91.68 123.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.928 -0.397 . . . . 2.06 109.928 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.613 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 9.4 m -99.42 131.88 45.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.38 -0.373 . . . . 2.46 111.134 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.61 -164.37 13.99 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.892 -0.671 . . . . 1.49 112.492 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -99.29 116.62 31.89 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.004 -0.369 . . . . 2.51 110.004 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.14 122.75 24.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.176 -0.465 . . . . 1.45 110.145 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -73.21 157.6 88.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.584 -0.525 . . . . 2.07 109.584 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -36.81 -51.01 1.4 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.135 3.223 . . . . 1.57 114.298 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 23.1 t70 -61.41 -57.21 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.65 0.262 . . . . 2.43 110.849 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 46.4 mt-10 -57.45 -40.28 78.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 2.37 110.983 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.25 -43.96 98.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 3.31 110.59 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -71.4 -40.69 70.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 1.74 110.66 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 57' ' ' GLU . 32.5 mmtp -56.44 -53.59 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.031 -0.531 . . . . 2.79 110.85 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -19.45 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.958 -0.565 . . . . 1.31 111.14 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -77.45 -55.92 4.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.093 -0.503 . . . . 2.86 110.758 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.9 -39.23 76.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 3.33 110.444 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.52 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.361 . . . . 1.2 110.968 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.32 83.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.412 . . . . 1.25 111.004 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -67.16 -26.79 66.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 2.62 110.536 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.61 -43.29 10.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 2.66 110.498 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.25 61.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 1.18 112.163 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -64.72 -10.78 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.394 -0.192 . . . . 4.33 111.406 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.7 -30.39 67.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.981 0.419 . . . . 3.62 110.7 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.1 m-90 -111.48 32.21 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 3.63 110.317 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.11 37.63 24.08 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.336 -0.847 . . . . 2.49 111.642 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -89.9 127.99 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.108 -0.496 . . . . 1.56 109.738 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 7.2 ptp180 -127.87 144.47 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.882 0.372 . . . . 4.67 110.804 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 t -109.86 128.23 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 2.17 110.463 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 28.2 ttm180 -136.72 133.62 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.941 0.401 . . . . 3.48 110.377 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m -88.67 136.4 33.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.057 -0.519 . . . . 1.4 111.34 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 81' ' ' THR . 30.8 m -125.71 140.25 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 2.18 110.258 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -120.41 -6.49 9.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.532 . . . . 1.97 111.034 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.7 m -150.06 142.13 15.46 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.471 . . . . 1.95 109.992 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.17 -32.66 82.89 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.193 2.595 . . . . 1.29 112.452 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.414 0.626 . . . . 2.48 109.953 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 9.4 mm-40 -74.19 -45.23 49.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.096 -0.957 . . . . 2.7 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.84 74.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.32 110.542 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HE3' ' A' ' 41' ' ' MET . 37.3 ttpt -56.77 -46.99 81.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.321 -0.854 . . . . 2.84 111.313 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 8.4 ptp180 -68.94 -29.35 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.832 -0.347 . . . . 4.3 110.548 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.89 -44.69 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 4.07 110.666 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.08 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 1.44 110.227 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -58.95 -46.19 88.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.966 0.412 . . . . 3.15 110.315 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.08 -31.13 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 2.57 110.685 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -80.03 -27.08 39.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.689 -0.687 . . . . 3.77 110.896 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.553 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.3 m -78.23 -38.69 42.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 1.87 111.171 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 4.14 110.874 -176.461 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB2' HG21 ' A' ' 74' ' ' VAL . 30.7 mmm180 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.501 0.191 . . . . 3.78 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.78 114.88 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 2.32 109.262 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 38.4 t -121.9 136.41 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.049 0.452 . . . . 1.2 111.56 -170.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.7 t -121.18 116.15 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 1.16 109.821 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.45 113.94 24.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.791 0.329 . . . . 1.92 110.651 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.82 133.01 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 1.93 110.795 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.22 94.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.75 109.993 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -175.91 -179.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 3.47 110.217 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -144.84 81.79 1.66 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.859 -0.793 . . . . 5.35 108.859 163.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -125.43 122.11 35.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 2.29 108.585 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -66.89 -32.13 73.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.125 0.417 . . . . 4.11 112.125 -171.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.17 -46.17 21.24 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.575 -0.45 . . . . 3.66 110.324 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.23 -54.03 51.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 1.98 110.724 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -61.29 -52.29 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 1.68 112.057 -174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 48.8 mt-10 -61.63 -56.47 19.51 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.191 -0.204 . . . . 2.42 111.537 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.9 -34.18 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 2.53 110.972 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.3 -46.56 66.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 1.23 110.45 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HA ' HD11 ' A' ' 49' ' ' LEU . 40.9 ttt180 -65.9 -35.24 80.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 3.24 111.196 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mmmm -59.8 -41.17 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 2.95 110.615 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 mmt -78.59 -30.18 46.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.243 -0.435 . . . . 3.09 110.556 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -53.37 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 1.39 111.461 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.02 -20.28 63.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.082 0.468 . . . . 2.57 110.665 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.6 -23.53 60.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.776 -0.647 . . . . 3.4 109.82 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 13.69 30.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.711 -0.677 . . . . 1.28 111.147 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 62.51 33.86 15.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.054 -0.521 . . . . 2.82 111.415 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.83 143.71 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.77 110.022 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -89.6 98.52 11.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.24 -0.652 . . . . 2.13 109.24 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 39' ' ' ARG . 9.4 tt -106.03 126.55 52.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 2.03 110.822 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.15 131.75 67.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.329 -0.85 . . . . 1.95 109.847 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -94.71 128.03 41.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.313 0.577 . . . . 1.86 111.331 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.3 t -102.04 149.01 36.17 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.189 -0.914 . . . . 2.44 110.106 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -48.15 161.62 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.744 2.296 . . . . 3.15 111.332 165.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.05 13.45 0.35 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.243 0.857 . . . . 2.89 115.243 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 10.9 p -89.81 125.11 62.01 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 117.749 0.774 . . . . 1.96 110.82 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.94 -45.14 0.75 Allowed 'Trans proline' 0 C--N 1.335 -0.175 0 C-N-CA 123.211 2.608 . . . . 1.5 113.906 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -73.38 -34.24 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.576 0.226 . . . . 2.7 111.406 -175.554 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.22 -36.02 78.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.147 0.498 . . . . 2.3 110.417 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.45 81.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 1.43 110.975 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 51.1 mt -71.63 -33.03 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.215 -0.448 . . . . 1.65 110.227 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 47.1 mtp180 -66.41 -37.63 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.752 -0.462 . . . . 3.82 109.752 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -43.8 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.908 -0.775 . . . . 1.82 108.908 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.28 93.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 1.23 110.806 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 25.2 tp60 -57.53 -41.71 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.61 . . . . 2.65 110.572 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.58 -56.34 18.83 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.044 -0.526 . . . . 2.21 111.241 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 52.6 mt -58.7 -37.55 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 1.23 110.713 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 74' ' ' VAL . . . -61.85 -53.81 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 1.28 111.503 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 10.6 pt-20 -71.55 -27.67 63.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 2.46 111.502 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -91.14 4.16 52.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.643 -0.253 . . . . 2.89 111.112 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 66' ' ' ILE . . . -84.81 133.31 43.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.679 0.276 . . . . 1.43 111.622 -176.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.56 108.66 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.225 1.95 . . . . 1.67 111.947 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.69 -169.99 37.83 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.755 -0.657 . . . . 0.91 112.114 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 123.56 13.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.736 2.291 . . . . 1.19 111.394 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 22' ' ' ARG . 13.2 p -111.36 137.99 41.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.265 0.555 . . . . 2.13 110.578 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.93 101.32 7.78 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.772 -0.825 . . . . 3.02 108.772 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 104' ' ' VAL . 6.0 p -128.53 137.57 56.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.152 0.501 . . . . 1.87 110.957 -177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -133.17 144.67 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 1.91 110.256 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -101.59 131.16 49.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 1.67 109.774 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.574 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.0 mm? -111.0 99.88 8.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 2.09 111.163 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 108' ' ' THR . 32.9 pt -94.84 153.63 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.917 -0.771 . . . . 2.06 108.917 173.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 p -68.83 153.47 43.73 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.527 -0.469 . . . . 2.46 110.506 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA2' ' HB ' ' A' ' 108' ' ' THR . . . -46.47 -63.42 3.07 Favored Glycine 0 C--N 1.332 0.356 0 O-C-N 123.915 0.76 . . . . 1.49 114.295 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.2 m -78.95 98.44 6.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.202 0.525 . . . . 2.51 110.448 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.72 127.21 43.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.51 -0.768 . . . . 1.45 109.81 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 145.75 99.03 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.03 -0.532 . . . . 2.07 109.992 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -36.1 -47.65 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.463 2.775 . . . . 1.57 113.916 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.25 -29.71 66.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.045 0.45 . . . . 2.43 111.288 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -43.62 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.16 0.505 . . . . 2.37 109.941 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.04 -38.72 82.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.444 -0.798 . . . . 3.31 111.355 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 p -61.24 -48.03 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.149 0.5 . . . . 1.74 110.724 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -66.01 -35.44 80.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 2.79 110.977 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.16 -42.4 69.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 1.31 110.586 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -64.72 -34.94 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.86 111.042 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.85 -47.89 56.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 3.33 110.824 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.4 -40.24 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 1.2 111.762 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.662 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -55.87 -53.76 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.647 0.26 . . . . 1.25 111.231 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.93 -29.78 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 2.62 110.994 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.25 -45.54 59.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 2.66 110.383 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.1 -21.74 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 1.18 111.98 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 54.9 mtp180 -59.46 -17.29 29.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.702 0.26 . . . . 4.33 111.702 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.84 -18.03 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 3.62 111.394 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -119.89 27.25 8.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.933 0.397 . . . . 3.63 110.309 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.4 t30 66.67 57.33 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.277 -0.874 . . . . 2.49 111.303 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.475 HG22 ' CG1' ' A' ' 76' ' ' VAL . 43.6 t -120.73 113.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 1.56 109.742 175.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -114.84 153.63 30.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.667 -0.242 . . . . 4.67 110.499 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t -117.3 126.03 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.711 0.291 . . . . 2.17 111.04 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -120.31 157.83 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 3.48 110.666 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 2.6 p -104.98 139.4 39.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.098 -0.501 . . . . 1.4 111.161 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -116.41 133.19 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.019 0.438 . . . . 2.18 110.961 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t -116.73 -19.0 10.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 1.97 111.234 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.4 p -156.85 157.01 30.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.494 -0.321 . . . . 1.95 110.365 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.59 -19.46 67.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.183 . . . . 1.29 111.172 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.25 -54.98 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.702 -0.681 . . . . 2.48 109.816 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 28.7 mm-40 -65.73 -33.75 76.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 2.7 110.734 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -54.1 -49.61 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.267 . . . . 1.32 111.477 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -74.8 -13.33 60.57 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 2.84 111.04 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.533 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 45.8 ttt180 -64.91 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 4.3 110.999 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.574 ' CZ2' ' HG ' ' A' ' 79' ' ' LEU . 20.2 p-90 -67.65 -27.04 66.53 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.861 -0.336 . . . . 4.07 111.065 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 115' ' ' ALA . 72.2 mt -61.11 -49.93 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.059 0.457 . . . . 1.44 110.487 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.21 -33.89 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 3.15 110.365 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -69.78 -48.76 58.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 2.57 110.617 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 118' ' ' TRP . 7.5 t80 -60.12 -27.24 66.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.282 -0.872 . . . . 3.77 111.039 -176.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -73.09 -14.99 61.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.879 -0.6 . . . . 1.87 111.16 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.269 . . . . 4.14 111.343 -178.134 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.656 -0.498 . . . . 3.78 109.656 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HB2' HD23 ' A' ' 47' ' ' LEU . 72.1 mt -117.85 115.4 24.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.202 0.525 . . . . 2.32 110.816 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 62.6 t -107.92 134.53 49.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.2 109.188 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -125.97 110.43 23.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.826 0.346 . . . . 1.16 110.723 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.4 mt -106.62 124.67 49.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.671 -0.492 . . . . 1.92 109.671 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.19 139.91 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.096 -0.502 . . . . 1.93 111.319 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -89.44 152.68 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.057 -0.72 . . . . 1.75 109.057 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 p -59.44 114.85 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 3.47 112.773 -171.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -131.7 -170.65 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.134 -1.432 . . . . 5.35 107.134 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -40.33 130.11 2.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 2.29 110.907 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HZ1' ' HB3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -58.65 -29.14 66.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.303 -0.862 . . . . 4.11 112.654 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.6 tttm -75.32 -32.76 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.707 -0.479 . . . . 3.66 109.707 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 115' ' ' ALA . 62.1 tp -64.58 -41.74 96.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 1.98 110.686 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -39.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.136 0.493 . . . . 1.68 109.775 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 50.5 mt-10 -67.22 -46.3 74.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.401 175.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 70.8 mm-40 -57.91 -43.67 86.34 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.491 -0.322 . . . . 2.53 111.181 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.63 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.23 110.872 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -69.28 -34.42 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 3.24 110.86 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.9 mmtm -60.31 -41.78 94.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.179 0.514 . . . . 2.95 110.301 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.5 mmm -70.77 -40.2 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.689 . . . . 3.09 110.127 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -62.22 -53.58 53.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 1.39 111.445 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.01 -26.56 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 2.57 111.191 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HB2' ' HZ2' ' A' ' 44' ' ' LYS . 4.0 ttmp? -77.57 -42.37 35.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.177 -0.465 . . . . 3.4 111.038 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.72 13.23 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.953 0.406 . . . . 1.28 111.275 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 58.88 45.58 15.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.588 -0.733 . . . . 2.82 111.87 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 23' ' ' LEU . 18.1 mt -98.77 153.94 18.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.807 -0.633 . . . . 1.77 109.528 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.09 98.64 11.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.809 -0.441 . . . . 2.13 109.809 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.1 tm? -92.56 114.76 27.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.012 -0.366 . . . . 2.03 110.012 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 69.6 mt -125.26 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.076 -0.511 . . . . 1.95 109.964 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -113.67 105.56 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.565 -0.289 . . . . 1.86 110.366 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.65 82.24 48.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 2.44 110.011 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.07 103.69 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.691 2.261 . . . . 3.15 114.127 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.19 -52.88 0.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.128 -1.51 . . . . 2.89 110.114 155.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.54 ' H ' ' CG ' ' A' ' 58' ' ' GLU . 19.1 m -120.38 168.61 10.17 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.073 -1.084 . . . . 1.96 108.073 163.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.8 -39.63 70.83 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 121.171 1.247 . . . . 1.5 112.032 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' OE1' ' HB3' ' A' ' 55' ' ' SER . 1.3 mp0 -69.13 -19.88 64.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.811 0.301 . . . . 2.7 111.811 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.54 ' CG ' ' H ' ' A' ' 55' ' ' SER . 17.6 mm-40 -60.94 -40.36 92.97 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.046 0.451 . . . . 2.3 110.271 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.45 80.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 1.43 110.16 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 49.8 mt -69.8 -39.62 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 1.65 111.477 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -67.27 -41.44 85.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.836 0.35 . . . . 3.82 110.107 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -38.58 88.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.81 -0.811 . . . . 1.82 108.81 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -58.47 -49.34 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.194 -0.912 . . . . 1.23 111.344 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.72 -37.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 2.65 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.76 -45.67 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.187 -0.46 . . . . 2.21 110.462 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.82 -39.74 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 1.23 110.53 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.28 111.376 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.91 -29.31 19.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 2.46 110.689 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -91.37 -22.8 20.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.972 -0.558 . . . . 2.89 112.304 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 118.81 69.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.563 0.221 . . . . 1.43 110.751 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -84.28 108.02 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.275 1.983 . . . . 1.67 112.023 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.72 -173.13 21.35 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.813 -0.63 . . . . 0.91 111.734 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.4 118.49 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.359 2.039 . . . . 1.19 111.254 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.92 123.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.99 0.424 . . . . 2.13 110.592 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -108.11 131.06 55.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.429 -0.582 . . . . 3.02 109.429 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 16.8 t -105.33 125.41 60.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.999 0.428 . . . . 1.87 110.459 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 115.56 30.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.173 -0.677 . . . . 1.91 109.173 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 62.4 t -104.03 115.51 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.902 0.382 . . . . 1.67 110.499 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 79' ' ' LEU . 3.2 mm? -90.18 106.34 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.063 -0.517 . . . . 2.09 110.31 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.19 126.19 38.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.008 -0.738 . . . . 2.06 109.008 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.4 t -67.09 155.5 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.663 -0.244 . . . . 2.46 110.951 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.91 9.01 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.892 -0.594 . . . . 1.49 114.153 -172.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 p -84.01 97.59 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.217 0.532 . . . . 2.51 111.548 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . -102.76 146.59 28.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.45 109.923 173.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 30.6 m-20 -83.99 152.92 63.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.93 -0.396 . . . . 2.07 109.93 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -44.93 -51.31 7.64 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.734 2.956 . . . . 1.57 113.861 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.88 -44.5 63.67 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.902 -0.319 . . . . 2.43 110.69 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.77 -34.25 69.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 2.37 111.345 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 84' ' ' ALA . 62.4 mttm -56.26 -50.39 71.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.108 0.48 . . . . 3.31 110.632 175.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -75.17 -35.55 61.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 1.74 111.108 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HE2' ' OE2' ' A' ' 57' ' ' GLU . 56.6 mtpt -65.21 -38.23 89.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 2.79 110.851 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.12 -29.8 67.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.993 0.425 . . . . 1.31 110.043 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -66.29 -51.1 60.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.861 -0.608 . . . . 2.86 110.455 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -59.58 -39.62 84.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.308 -0.405 . . . . 3.33 110.908 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.85 87.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 1.2 110.812 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.79 92.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.999 -0.546 . . . . 1.25 111.271 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.7 -39.54 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 2.62 111.003 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.25 -42.48 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 2.66 110.229 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.21 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.614 . . . . 1.18 111.827 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -60.06 -39.88 87.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.565 -0.288 . . . . 4.33 111.195 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -75.64 -3.83 36.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.166 0.508 . . . . 3.62 110.762 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -103.12 13.02 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.766 -0.652 . . . . 3.63 109.885 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.4 t30 62.68 39.71 10.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.87 0.843 . . . . 2.49 110.512 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.64 134.0 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 1.56 109.757 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -126.74 134.99 50.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.457 -0.338 . . . . 4.67 110.687 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.28 139.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.191 0.519 . . . . 2.17 110.661 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -137.44 111.57 8.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.586 -0.734 . . . . 3.48 109.268 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 m -77.37 135.53 38.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.801 0.334 . . . . 1.4 110.375 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.9 t -123.71 110.63 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.696 -0.684 . . . . 2.18 110.294 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.3 t -104.96 -15.13 15.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.34 0.591 . . . . 1.97 109.696 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m -135.18 130.53 19.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 1.95 109.996 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.15 -29.51 16.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.987 3.125 . . . . 1.29 114.457 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.91 -25.38 65.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.749 -0.205 . . . . 2.48 111.148 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.8 -57.2 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.683 0.278 . . . . 2.7 110.703 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.475 ' HB3' HD13 ' A' ' 34' ' ' LEU . . . -56.1 -50.65 70.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.32 111.577 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.58 -32.75 71.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 2.84 110.744 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -76.21 -49.99 15.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.723 -0.671 . . . . 4.3 110.824 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -64.37 -46.61 82.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 4.07 111.572 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.88 -39.92 59.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 1.44 110.731 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.9 tttm -64.46 -46.09 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.506 -0.315 . . . . 3.15 110.433 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -38.4 91.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.605 0.241 . . . . 2.57 110.864 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -69.06 -26.04 64.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 3.77 110.712 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.5 m -83.25 -11.01 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 1.87 110.521 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 81.7 mm-40 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 4.14 110.249 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.566 0.698 . . . . 3.78 110.801 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -91.37 120.31 32.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.87 . . . . 2.32 109.198 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 34.4 t -111.49 120.61 62.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.821 -0.437 . . . . 1.2 109.821 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.8 t -123.33 113.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.949 0.404 . . . . 1.16 110.728 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.7 mp -107.22 120.98 43.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.336 -0.616 . . . . 1.92 109.336 174.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 79' ' ' LEU . 2.6 pp -110.35 144.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.148 -0.621 . . . . 1.93 110.83 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 25.3 t -88.87 137.25 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.119 -0.946 . . . . 1.75 109.412 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -64.39 166.3 8.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.159 1.17 . . . . 3.47 114.159 -170.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB2' HG22 ' A' ' 81' ' ' THR . 5.8 t-20 179.42 -168.81 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.245 -1.798 . . . . 5.35 106.491 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -38.06 133.16 0.93 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.401 0.438 . . . . 2.29 110.731 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -61.45 -18.1 57.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.034 0.753 . . . . 4.11 113.034 -170.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.71 -39.08 90.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.068 0.461 . . . . 3.66 109.982 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.68 -49.59 62.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.396 -0.82 . . . . 1.98 110.331 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.44 -50.81 70.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.296 -0.865 . . . . 1.68 111.255 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 46.8 mm-40 -61.14 -52.05 66.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.616 . . . . 2.42 111.254 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 41' ' ' MET . 13.9 tp10 -65.26 -39.04 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.546 -0.297 . . . . 2.53 111.395 -172.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.47 97.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.49 . . . . 1.23 110.677 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -68.16 -32.84 73.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 3.24 110.555 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 84.1 mttt -63.27 -35.79 81.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.052 -0.522 . . . . 2.95 110.593 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 42.7 mtt -72.25 -29.13 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.884 -0.598 . . . . 3.09 110.565 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.24 66.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.898 -0.592 . . . . 1.39 111.35 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.71 -21.32 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 2.57 111.146 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -79.71 -44.31 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 3.4 110.933 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.88 5.06 47.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.955 -0.566 . . . . 1.28 111.546 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 60.1 38.35 20.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.636 -0.711 . . . . 2.82 111.751 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.39 153.99 32.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.77 110.334 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -92.68 105.79 17.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.126 -0.488 . . . . 2.13 109.784 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.567 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.57 134.1 52.32 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.14 0.495 . . . . 2.03 110.781 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.413 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 4.2 mp -116.52 126.79 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.754 . . . . 1.95 109.626 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -87.33 106.97 18.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.11 0.481 . . . . 1.86 110.892 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -104.35 145.34 30.49 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.587 . . . . 2.44 111.361 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -37.18 163.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.591 3.527 . . . . 3.15 115.509 165.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.71 12.41 1.04 Allowed Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 112.754 -2.021 . . . . 2.89 114.569 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -110.32 118.63 48.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 1.96 110.789 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.64 -27.55 81.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.006 2.471 . . . . 1.5 111.996 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.68 -54.28 19.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.705 -0.68 . . . . 2.7 110.561 171.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.15 -44.28 84.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.3 110.425 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.99 -60.98 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.883 0.697 . . . . 1.43 112.883 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.31 -31.74 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 1.65 111.274 -171.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -68.01 -41.36 82.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.126 -0.488 . . . . 3.82 109.712 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.8 tp -71.33 -30.75 66.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 1.82 110.191 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.68 91.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.928 -0.578 . . . . 1.23 110.767 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -67.24 -37.5 83.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.521 . . . . 2.65 110.637 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.69 -57.22 13.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.788 -0.642 . . . . 2.21 110.6 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.71 -34.73 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 1.23 110.79 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.15 97.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.069 0.462 . . . . 1.28 111.724 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.68 -37.71 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 2.46 110.761 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -89.08 1.69 55.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 2.89 112.107 -172.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.93 123.05 68.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.548 0.213 . . . . 1.43 110.95 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.12 108.78 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.171 1.914 . . . . 1.67 112.318 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' HG23 ' A' ' 74' ' ' VAL . . . 133.9 -170.85 22.31 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.045 -0.598 . . . . 0.91 111.816 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.67 117.95 5.24 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.176 1.917 . . . . 1.19 110.384 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 72' ' ' GLY . 79.1 t -113.41 126.56 70.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.179 0.514 . . . . 2.13 111.747 -171.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 22.7 tptm -133.89 117.53 16.89 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.378 -0.971 . . . . 3.02 108.378 173.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' A' ' 104' ' ' VAL . 14.1 t -113.99 147.62 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.12 0.486 . . . . 1.87 111.512 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.05 124.16 17.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.694 -0.854 . . . . 1.91 108.694 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 13.5 p -114.59 128.56 71.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.458 0.647 . . . . 1.67 110.168 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.412 ' HB2' HG21 ' A' ' 27' ' ' ILE . 2.8 mm? -107.69 99.53 9.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.323 -0.853 . . . . 2.09 110.827 -171.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.478 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 1.6 tt -81.66 124.47 39.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.435 -0.579 . . . . 2.06 109.435 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 30' ' ' ASN . 61.0 m -108.51 124.21 50.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.061 -0.518 . . . . 2.46 111.04 -170.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.59 15.86 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.988 -0.625 . . . . 1.49 111.955 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -110.09 135.75 50.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.895 -0.409 . . . . 2.51 109.895 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.92 115.5 21.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 1.45 111.151 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -69.98 152.16 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 2.07 109.877 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -41.54 -49.68 5.05 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.686 2.924 . . . . 1.57 114.296 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.589 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 5.4 m-20 -60.17 -54.91 40.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 2.43 110.745 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 91' ' ' LYS . 13.5 mm-40 -69.81 -26.74 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.094 -0.503 . . . . 2.37 111.398 -176.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -63.57 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.513 0.673 . . . . 3.31 109.223 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 m -75.35 -33.62 61.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 1.74 110.355 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 33.2 mmtp -62.87 -45.1 94.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.992 -0.549 . . . . 2.79 109.957 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.52 75.21 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.119 -0.946 . . . . 1.31 110.857 -171.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -35.15 80.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 2.86 111.257 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -75.44 -53.66 8.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.021 -0.536 . . . . 3.33 110.573 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.0 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 1.2 111.069 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -60.48 -39.7 88.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 1.25 110.992 178.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.51 -41.13 84.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.769 -0.65 . . . . 2.62 110.575 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.49 -39.92 67.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 2.66 110.41 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.94 -12.19 60.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 1.18 112.151 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 38.9 mtp180 -55.44 -26.76 43.92 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.739 0.274 . . . . 4.33 111.739 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.22 -33.1 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 3.62 110.963 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -102.77 9.2 39.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 3.63 110.738 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER 64.62 36.94 8.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.544 -0.753 . . . . 2.49 111.347 178.258 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.461 HG21 ' HB ' ' A' ' 76' ' ' VAL . 39.8 t -82.16 107.25 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 1.56 109.987 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -92.5 143.69 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 4.67 111.091 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.418 HG22 ' CG1' ' A' ' 78' ' ' VAL . 47.4 t -110.69 123.75 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.56 . . . . 2.17 110.217 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -128.37 145.66 51.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.848 0.356 . . . . 3.48 110.628 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 m -100.52 133.65 44.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.051 -0.522 . . . . 1.4 111.011 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.86 110.4 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.15 -0.477 . . . . 2.18 110.052 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m -99.86 -27.6 13.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.349 0.595 . . . . 1.97 109.975 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.1 p -135.95 142.4 40.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.27 -0.641 . . . . 1.95 109.27 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.92 -18.81 36.84 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.199 2.599 . . . . 1.29 113.856 -172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.44 -20.93 61.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 2.48 110.625 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.63 -37.67 62.74 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.969 -0.382 . . . . 2.7 109.969 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.89 69.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 1.32 110.677 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -59.3 -32.64 70.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 2.84 110.411 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -73.08 -59.2 2.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 4.3 111.156 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -66.52 -33.19 75.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.479 0.548 . . . . 4.07 112.479 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.82 -46.55 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.808 -0.357 . . . . 1.44 110.487 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HA ' ' OG ' ' A' ' 123' ' ' SER . 63.8 mttp -70.86 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 3.15 110.998 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.72 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 2.57 109.791 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 93.4 t80 -78.87 -36.03 42.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.009 -0.996 . . . . 3.77 110.983 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 120' ' ' LYS . 25.4 p -81.2 -54.74 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.87 111.538 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.778 -0.192 . . . . 4.14 110.659 -177.746 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 10.4 mmm180 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.668 0.27 . . . . 3.78 111.046 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.86 100.22 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 2.32 109.555 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -106.27 132.9 52.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.968 -0.56 . . . . 1.2 111.476 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 110.56 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 1.16 109.913 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD21 ' HB ' ' A' ' 50' ' ' ILE . 19.8 mt -106.59 113.2 26.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.916 -0.584 . . . . 1.92 109.978 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.6 tt -116.64 133.5 63.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.43 0.633 . . . . 1.93 111.989 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 80' ' ' ILE . 2.7 p -124.58 103.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.243 -0.89 . . . . 1.75 109.037 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.52 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 59.1 m -145.76 -178.82 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.248 0.462 . . . . 3.47 112.248 -174.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -78.21 -170.84 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.226 -0.897 . . . . 5.35 111.189 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -8.89 128.3 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.023 1.729 . . . . 2.29 114.911 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 57.9 mtpt -60.7 -14.78 23.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.741 -1.118 . . . . 4.11 113.529 -171.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -53.28 -44.37 68.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.071 0.462 . . . . 3.66 110.54 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -41.38 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.603 -0.726 . . . . 1.98 110.748 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 64.8 mt -65.13 -47.44 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 1.68 111.275 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 mm-40 -58.26 -43.65 88.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 2.42 110.556 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.96 -42.71 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.241 -0.436 . . . . 2.53 110.294 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.5 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 1.23 110.834 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 67.1 mtp180 -63.61 -36.48 83.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 3.24 110.753 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.676 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 75.7 mmtt -63.06 -31.84 73.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 2.95 110.446 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.4 mmt -76.12 -37.44 58.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 3.09 109.669 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.16 72.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 1.39 111.441 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -62.35 -27.17 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 2.57 111.027 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -69.54 -60.27 2.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.215 -0.448 . . . . 3.4 111.255 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.84 16.68 15.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 1.28 111.711 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.39 58.6 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.282 -0.872 . . . . 2.82 111.959 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.87 137.27 41.29 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.283 -1.006 . . . . 1.77 108.283 170.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 12.2 tt0 -81.39 97.97 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.213 0.53 . . . . 2.13 109.747 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 116.64 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.318 -0.856 . . . . 2.03 109.737 -176.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.429 ' HB ' HD21 ' A' ' 26' ' ' LEU . 36.2 mm -126.19 131.29 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 1.95 109.704 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 p -85.59 130.29 34.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.209 -0.451 . . . . 1.86 111.301 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 53' ' ' PRO . 66.9 t -105.06 143.15 26.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.755 -0.657 . . . . 2.44 111.016 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.607 ' O ' HG12 ' A' ' 52' ' ' VAL . 9.2 Cg_endo -53.44 161.61 3.9 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.019 2.479 . . . . 3.15 111.951 168.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.18 12.79 0.41 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.334 0.894 . . . . 2.89 115.334 -170.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -108.99 118.47 51.36 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 117.46 0.63 . . . . 1.96 110.423 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.443 ' HD2' ' OE1' ' A' ' 88' ' ' GLU . 46.2 Cg_exo -58.26 -26.42 76.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.011 2.474 . . . . 1.5 112.372 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.492 -0.776 . . . . 2.7 110.479 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.8 tp10 -67.84 -36.7 80.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.459 -177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.8 86.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.43 111.203 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.421 HG21 ' HB2' ' A' ' 95' ' ' ALA . 50.0 mm -72.08 -39.89 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.082 -0.508 . . . . 1.65 111.029 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 61' ' ' ARG . 56.2 mtt180 -73.13 -27.15 61.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.45 -0.341 . . . . 3.82 111.496 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -67.59 -40.94 84.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.709 -0.849 . . . . 1.82 108.709 173.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.67 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.47 -0.786 . . . . 1.23 110.406 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.712 . . . . 2.65 110.569 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.7 -55.57 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 2.21 110.605 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.84 -35.97 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 1.23 111.276 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 74' ' ' VAL . . . -60.6 -36.01 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.332 . . . . 1.28 111.843 -178.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.1 -22.59 20.64 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.835 -0.346 . . . . 2.46 111.725 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -83.22 -29.07 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.704 0.288 . . . . 2.89 111.361 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 22' ' ' ARG . . . -80.76 122.38 82.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.521 -0.309 . . . . 1.43 111.296 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.02 108.79 1.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.296 1.998 . . . . 1.67 112.038 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.11 -155.98 18.86 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.91 112.234 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.56 119.83 6.73 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.827 2.351 . . . . 1.19 111.672 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 67' ' ' ALA . 4.9 t -118.71 137.18 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.825 0.345 . . . . 2.13 110.407 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -141.75 117.16 10.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.903 -0.777 . . . . 3.02 108.903 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.8 t -119.07 140.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.295 0.569 . . . . 1.87 111.664 -174.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 tp -123.41 124.86 43.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 1.91 109.402 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.8 m -105.99 129.03 59.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.217 0.532 . . . . 1.67 110.523 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.17 100.01 9.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.748 -0.66 . . . . 2.09 110.326 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.413 ' HA ' HG13 ' A' ' 28' ' ' VAL . 37.2 pt -94.4 133.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.826 -0.435 . . . . 2.06 109.826 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.52 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 5.5 t -92.05 152.2 20.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.037 0.446 . . . . 2.46 111.647 -175.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.38 -146.65 50.48 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.462 -0.79 . . . . 1.49 112.803 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -109.93 143.31 40.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.546 -0.539 . . . . 2.51 109.546 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 125.12 28.5 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.54 -0.541 . . . . 1.45 109.54 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.08 156.5 10.27 Favored Pre-proline 0 C--O 1.222 -0.381 0 CA-C-N 115.943 -0.571 . . . . 2.07 110.166 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -37.27 -50.88 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.674 2.916 . . . . 1.57 114.203 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -71.79 -45.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 2.43 110.795 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' A' ' 56' ' ' PRO . 8.3 mm-40 -63.2 -30.44 71.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.781 -0.645 . . . . 2.37 111.014 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.63 -52.42 60.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 3.31 111.256 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -73.7 -26.11 60.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.038 0.447 . . . . 1.74 110.145 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -69.14 -50.23 49.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 2.79 110.437 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.72 -20.77 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 1.31 110.473 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.75 -48.21 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 2.86 109.825 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.5 -39.88 88.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 3.33 110.348 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 60' ' ' ILE . . . -66.5 -34.68 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 1.2 111.042 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.87 90.3 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.14 -0.482 . . . . 1.25 111.609 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -73.03 -23.36 60.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 2.62 110.961 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.691 ' O ' ' HE3' ' A' ' 101' ' ' LYS . 8.7 tp10 -71.28 -54.88 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.612 -0.514 . . . . 2.66 109.612 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.82 -13.99 62.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.186 0.517 . . . . 1.18 111.262 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.87 -26.13 65.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 4.33 110.761 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.691 ' HE3' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.6 -23.19 65.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.463 -0.335 . . . . 3.62 111.6 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -112.78 24.54 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 3.63 111.249 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.404 HD21 ' HA ' ' A' ' 103' ' ' ASN . 10.2 m120 60.36 37.36 20.18 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.939 -0.573 . . . . 2.49 111.91 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 40.1 t -93.86 109.65 22.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.635 -0.506 . . . . 1.56 109.635 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -92.4 134.72 34.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 4.67 110.807 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.69 129.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 2.17 110.16 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.0 tpm_? -137.11 155.82 49.14 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.865 -0.42 . . . . 3.48 109.865 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 26.2 m -116.28 135.6 53.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 1.4 111.122 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.14 118.47 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 2.18 110.716 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -118.77 -7.55 10.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.853 0.358 . . . . 1.97 110.875 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.1 p -153.06 148.5 20.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 1.95 110.78 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -45.7 -45.62 16.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.119 2.546 . . . . 1.29 113.572 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.22 -42.22 51.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.883 -0.599 . . . . 2.48 112.104 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.2 -55.34 29.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.126 -0.488 . . . . 2.7 110.568 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.75 70.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.39 . . . . 1.32 110.856 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -57.9 -47.74 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.689 -0.687 . . . . 2.84 111.503 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -78.74 -27.94 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.884 -0.326 . . . . 4.3 111.491 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -69.43 -40.16 77.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.788 0.328 . . . . 4.07 110.264 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -36.1 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.135 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -58.17 -55.53 33.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 3.15 111.311 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.96 -33.46 74.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.703 0.287 . . . . 2.57 111.109 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -66.43 -38.86 88.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.77 110.561 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -75.17 -53.86 8.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 1.87 110.364 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.578 0.704 . . . . 4.14 109.69 -177.585 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 4.3 mmp_? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.75 0.31 . . . . 3.78 111.153 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.49 113.1 25.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.532 -0.544 . . . . 2.32 109.532 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 t -116.4 135.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.749 -0.66 . . . . 1.2 110.186 -176.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 42.4 t -132.03 119.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.982 -0.377 . . . . 1.16 109.982 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 5.3 mp -105.42 116.02 31.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.818 -0.808 . . . . 1.92 108.818 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.43 126.59 56.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.775 -0.648 . . . . 1.93 109.843 -173.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.08 97.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.48 -1.304 . . . . 1.75 107.48 170.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -116.01 141.69 47.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.72 0.771 . . . . 3.47 112.766 -165.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -78.44 -170.12 1.93 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.071 -1.422 . . . . 5.35 108.242 164.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t0 -8.01 126.37 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.996 1.435 . . . . 2.29 114.274 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.25 -13.71 5.67 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.527 0.936 . . . . 4.11 113.527 -170.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 31' ' ' ASP . 49.1 mttp -56.36 -32.23 64.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.073 0.463 . . . . 3.66 110.381 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 tp -76.73 -45.1 30.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.399 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.6 -46.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.648 -0.706 . . . . 1.68 110.513 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 52.6 mm-40 -52.32 -62.53 1.58 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 2.42 111.426 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -56.14 -42.52 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 2.53 111.39 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.7 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.23 111.153 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -71.74 -32.09 67.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 3.24 110.883 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.3 mmtm -56.5 -50.66 71.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.056 -0.52 . . . . 2.95 111.036 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.6 mmt -74.52 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 3.09 111.272 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.5 75.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 1.39 110.891 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.9 -37.23 83.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.987 0.422 . . . . 2.57 110.322 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.06 -30.71 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 3.4 111.328 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.48 11.44 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 1.28 111.434 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 61.68 51.85 3.79 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.753 0.787 . . . . 2.82 110.642 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD12 ' OG ' ' A' ' 123' ' ' SER . 27.4 mt -115.47 156.21 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.574 -0.739 . . . . 1.77 109.197 175.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -101.03 100.03 10.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.031 -0.359 . . . . 2.13 110.031 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.6 tt -108.58 127.67 54.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 2.03 110.367 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 63.0 mt -122.22 137.84 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.355 -0.839 . . . . 1.95 109.857 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 m -109.82 100.83 9.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.583 0.23 . . . . 1.86 110.698 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 50' ' ' ILE . 58.5 t -126.8 82.06 68.08 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 2.44 110.601 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -90.23 104.14 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.483 2.122 . . . . 3.15 113.365 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.42 -51.04 0.2 Allowed Glycine 0 CA--C 1.506 -0.504 0 C-N-CA 119.296 -1.43 . . . . 2.89 109.723 160.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -119.22 158.26 48.93 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.917 -1.142 . . . . 1.96 107.917 157.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' O ' HG12 ' A' ' 60' ' ' ILE . 68.7 Cg_exo -56.69 -40.99 80.47 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 121.206 1.27 . . . . 1.5 110.553 168.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.92 -30.07 71.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.157 -0.929 . . . . 2.7 111.788 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.96 -44.7 94.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.947 0.404 . . . . 2.3 110.933 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.25 74.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 1.43 110.651 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 56' ' ' PRO . 13.3 mm -64.66 -41.41 92.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.122 0.487 . . . . 1.65 110.294 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -74.49 -30.69 61.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 3.82 110.599 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.0 tp -73.05 -30.3 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 1.82 110.196 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.44 74.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 1.23 110.576 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -63.02 -39.18 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.387 -0.824 . . . . 2.65 110.762 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 12.9 mm-40 -69.73 -48.97 57.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 2.21 110.718 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 26' ' ' LEU . 72.1 mt -61.19 -38.99 80.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 1.23 111.099 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.3 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 1.28 111.28 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.24 -46.23 56.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.216 0.531 . . . . 2.46 110.694 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 14.6 mmmm -77.02 -17.43 58.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.621 . . . . 2.89 111.955 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.49 120.41 76.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.21 -0.292 . . . . 1.43 110.21 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.51 108.08 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.137 1.891 . . . . 1.67 112.236 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.52 -167.27 23.95 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.888 -0.673 . . . . 0.91 111.934 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.5 119.27 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.503 2.135 . . . . 1.19 111.397 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.62 137.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.264 -0.426 . . . . 2.13 110.961 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -127.83 113.86 16.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.494 -0.928 . . . . 3.02 108.494 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 10.5 t -114.51 135.31 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.216 0.531 . . . . 1.87 111.497 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 20.5 mt -115.76 142.55 46.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.965 -0.561 . . . . 1.91 109.726 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG12 ' HB2' ' A' ' 26' ' ' LEU . 2.7 m -128.09 118.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.918 -0.583 . . . . 1.67 109.64 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.5 mt -109.41 124.44 51.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.617 -0.72 . . . . 2.09 110.469 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.1 pt -104.12 145.29 13.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.415 -0.587 . . . . 2.06 109.415 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 32.1 p -114.35 151.56 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.025 0.441 . . . . 2.46 112.016 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.13 -156.66 50.47 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.687 -0.688 . . . . 1.49 111.924 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -100.62 105.49 16.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.921 0.391 . . . . 2.51 110.554 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.29 120.64 16.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 1.45 109.716 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.34 158.5 56.74 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.455 . . . . 2.07 110.47 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -46.21 11.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.855 2.37 . . . . 1.57 112.846 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 5.7 m-20 -60.83 -35.99 77.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 2.43 111.249 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.511 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 50.7 mt-10 -81.12 -43.58 19.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.082 -0.508 . . . . 2.37 110.515 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.24 -40.73 95.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.496 -0.774 . . . . 3.31 111.192 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -62.15 -48.52 79.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 1.74 110.941 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 95.5 mttt -59.94 -41.5 91.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 2.79 110.69 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.12 70.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.927 -0.578 . . . . 1.31 110.718 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.74 -41.43 78.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 2.86 110.59 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -68.38 -44.8 74.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 3.33 110.38 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.16 80.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.353 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -61.15 -30.64 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 1.25 111.254 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.96 -48.78 28.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 2.62 110.387 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.61 -39.33 84.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 2.66 110.699 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' O ' HG11 ' A' ' 104' ' ' VAL . . . -79.39 -13.57 59.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.046 -0.525 . . . . 1.18 111.989 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 51.5 ttm-85 -55.92 -28.62 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 4.33 110.552 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.63 -18.3 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.681 -0.691 . . . . 3.62 111.11 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -96.98 8.2 44.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 3.63 110.938 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.4 t30 66.69 34.96 5.43 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.519 -0.764 . . . . 2.49 111.01 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 8.8 p -105.46 139.22 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 1.56 109.76 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.8 131.59 49.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 4.67 110.673 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 78' ' ' VAL . 21.6 t -96.0 124.17 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 2.17 110.86 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.62 143.03 50.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.576 -0.528 . . . . 3.48 109.576 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 m -99.37 125.71 45.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.787 0.327 . . . . 1.4 110.509 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 81' ' ' THR . 31.5 m -123.87 145.63 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 2.18 110.298 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -118.3 -36.47 3.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 1.97 111.108 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -116.03 150.81 45.73 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.068 -0.515 . . . . 1.95 110.467 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.28 -32.48 88.19 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.26 2.64 . . . . 1.29 113.12 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.78 -36.03 77.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.975 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.26 -53.43 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 2.7 110.497 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.0 88.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 1.32 110.832 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.35 -36.07 79.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.595 . . . . 2.84 110.498 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -65.81 -50.26 65.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.651 . . . . 4.3 110.701 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -61.25 -44.68 96.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 4.07 111.206 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.64 -52.31 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.325 . . . . 1.44 111.441 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -62.71 -39.79 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 3.15 110.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.17 -47.24 80.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 2.57 110.326 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.75 -24.85 67.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 3.77 111.52 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.53 ' OG ' HD12 ' A' ' 47' ' ' LEU . 50.2 m -59.7 -36.55 76.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.183 -0.462 . . . . 1.87 111.875 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 123.474 0.709 . . . . 4.14 111.819 -178.19 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HB3' HG11 ' A' ' 74' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 121.389 0.614 . . . . 3.78 110.995 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB2' HD23 ' A' ' 47' ' ' LEU . 85.5 mt -108.94 115.29 29.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.475 -0.784 . . . . 2.32 109.071 174.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.47 133.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.778 -0.646 . . . . 1.2 110.423 -174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 9.2 t -124.75 109.96 23.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.16 110.543 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.1 121.6 45.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.1 -0.5 . . . . 1.92 109.776 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.1 tt -125.52 145.77 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 1.93 110.925 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.95 151.77 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 1.75 109.856 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.401 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 6.0 p -62.43 138.6 58.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.444 0.535 . . . . 3.47 112.444 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -156.7 -172.7 4.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.289 -1.374 . . . . 5.35 107.289 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.59 139.08 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.392 -0.596 . . . . 2.29 109.392 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -62.33 -19.03 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.842 -0.617 . . . . 4.11 112.184 -171.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -60.9 -38.08 84.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.963 0.411 . . . . 3.66 110.268 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.43 -49.19 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.759 -0.655 . . . . 1.98 110.603 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.5 -41.25 91.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.855 -0.611 . . . . 1.68 111.109 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 41.4 mt-10 -60.69 -55.15 36.73 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.121 -0.232 . . . . 2.42 111.139 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.11 -30.56 71.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.317 . . . . 2.53 111.244 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.17 88.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 1.23 110.266 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -64.72 -42.31 95.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 3.24 111.476 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 74.8 mmtt -57.87 -41.07 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.833 0.349 . . . . 2.95 110.448 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.436 ' HG3' ' CB ' ' A' ' 116' ' ' LYS . 86.4 mmm -72.58 -38.8 67.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.907 -0.588 . . . . 3.09 111.087 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -65.74 -58.65 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 1.39 110.884 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.38 -23.31 66.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 2.57 110.97 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -58.16 -43.85 87.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.14 0.495 . . . . 3.4 110.672 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.01 30.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.28 110.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.09 42.58 9.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.468 -0.787 . . . . 2.82 110.884 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -92.41 145.91 24.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.706 -0.85 . . . . 1.77 108.706 176.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.42 99.68 11.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.752 0.787 . . . . 2.13 110.858 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.8 tm? -87.95 116.95 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.707 -1.133 . . . . 2.03 108.791 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.2 mm -129.44 135.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.909 0.385 . . . . 1.95 110.757 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -103.75 100.88 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.472 . . . . 1.86 110.799 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.1 t -121.78 82.33 41.98 Favored Pre-proline 0 N--CA 1.465 0.324 0 C-N-CA 120.488 -0.485 . . . . 2.44 110.901 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HB3' ' H ' ' A' ' 29' ' ' SER . 89.0 Cg_endo -90.84 104.87 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.847 2.365 . . . . 3.15 113.885 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.76 -52.67 0.15 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.705 -1.712 . . . . 2.89 111.372 160.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -121.55 170.76 7.02 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.956 -0.757 . . . . 1.96 108.956 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' ILE . 22.0 Cg_exo -63.09 -48.47 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.238 1.292 . . . . 1.5 110.348 166.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -24.49 67.74 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.809 -0.632 . . . . 2.7 111.639 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -56.72 -51.14 69.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 2.3 110.57 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.03 -32.28 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 1.43 110.956 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 HG13 ' A' ' 78' ' ' VAL . 6.4 mm -70.26 -44.96 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.195 0.522 . . . . 1.65 110.235 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 3.82 110.208 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -43.45 87.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.795 -0.817 . . . . 1.82 108.795 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.19 78.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.33 -0.85 . . . . 1.23 110.834 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -47.73 78.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.528 -0.76 . . . . 2.65 110.019 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 36.2 tt0 -55.56 -52.44 63.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 2.21 111.168 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.46 -44.73 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.539 -0.301 . . . . 1.23 110.985 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.481 -0.327 . . . . 1.28 111.469 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.59 -47.69 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 2.46 110.841 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.8 mmtp -78.77 -10.75 59.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.576 . . . . 2.89 111.447 -174.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.97 128.41 78.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.312 -0.404 . . . . 1.43 111.066 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -75.4 108.83 2.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.754 2.303 . . . . 1.67 112.216 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 -168.32 15.22 Favored Glycine 0 C--N 1.315 -0.597 0 CA-C-N 115.658 -0.701 . . . . 0.91 113.408 171.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.29 119.54 6.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.447 2.765 . . . . 1.19 112.506 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 22' ' ' ARG . 17.6 m -128.74 163.73 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 2.13 110.738 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -147.58 107.7 4.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.013 -0.736 . . . . 3.02 109.013 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -100.53 127.43 53.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.092 0.472 . . . . 1.87 110.833 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 69.3 tp -108.73 117.11 33.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.636 -0.711 . . . . 1.91 109.709 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 HD12 ' A' ' 60' ' ' ILE . 46.3 t -105.83 131.68 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 110.066 -0.346 . . . . 1.67 110.066 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.9 mt -114.26 104.34 11.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 2.09 110.735 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.07 144.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.122 -0.696 . . . . 2.06 109.122 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.0 p -71.19 157.61 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.445 -0.343 . . . . 2.46 111.903 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.98 -52.82 37.1 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.49 113.746 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -94.23 94.84 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.311 0.577 . . . . 2.51 111.365 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.64 17.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.401 -0.818 . . . . 1.45 108.806 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.19 142.48 87.29 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.212 -0.662 . . . . 2.07 109.212 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -38.47 -47.18 2.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.325 2.683 . . . . 1.57 113.74 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.48 -30.98 65.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.482 -0.326 . . . . 2.43 111.044 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 2.37 110.002 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.05 -41.98 99.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 3.31 110.298 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 m -60.15 -48.52 81.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 1.74 110.903 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.07 -41.17 86.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 2.79 111.437 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.39 75.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 1.31 110.763 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.88 -47.31 85.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 2.86 110.796 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.7 -47.71 80.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 3.33 110.415 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.17 -33.39 74.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.562 -0.744 . . . . 1.2 111.309 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.4 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 1.25 111.382 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -84.06 -26.68 28.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.62 110.706 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.84 -51.34 27.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.36 -0.382 . . . . 2.66 110.213 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.52 62.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.826 -0.625 . . . . 1.18 111.021 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -58.2 -27.49 63.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 4.33 111.165 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -61.86 -24.53 66.97 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.996 0.427 . . . . 3.62 111.004 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -100.07 22.19 11.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 3.63 110.445 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 65.79 26.84 11.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.572 -0.74 . . . . 2.49 111.115 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.2 t -93.89 134.36 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.493 . . . . 1.56 110.074 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -130.7 112.55 13.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.423 0.63 . . . . 4.67 110.354 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.41 ' CG2' HD13 ' A' ' 60' ' ' ILE . 23.2 t -88.44 135.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 2.17 110.127 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -130.98 152.77 49.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.107 -0.331 . . . . 3.48 110.107 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -98.27 122.39 41.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 1.4 109.897 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.487 HG12 ' HB1' ' A' ' 115' ' ' ALA . 75.3 t -109.08 118.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.276 -0.42 . . . . 2.18 110.989 -177.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.3 p -93.81 -23.35 18.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 1.97 112.26 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -152.07 152.81 30.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.209 -0.307 . . . . 1.95 111.15 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.56 -37.01 90.47 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.918 2.412 . . . . 1.29 113.157 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 3.3 m-20 -58.44 -46.77 85.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.038 0.446 . . . . 2.48 110.645 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.46 -37.8 87.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 2.7 109.971 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 109' ' ' VAL . . . -58.32 -58.76 7.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 1.32 111.367 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 22.3 pttp -66.01 -22.3 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 2.84 111.508 -176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -66.93 -54.51 21.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.046 -0.354 . . . . 4.3 110.046 175.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -68.21 -32.51 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 4.07 111.475 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.0 mt -61.99 -42.82 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.786 -0.45 . . . . 1.44 109.786 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -59.13 -42.8 91.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.166 -0.47 . . . . 3.15 110.501 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 117' ' ' ARG . 16.8 mm-40 -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.7 -0.682 . . . . 2.57 111.495 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -84.78 -22.85 29.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.317 . . . . 3.77 111.429 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.3 t -71.95 -62.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.275 -0.421 . . . . 1.87 110.902 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.258 -0.428 . . . . 4.14 110.331 -177.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.123 -0.325 . . . . 3.78 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.59 122.73 48.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.79 -0.448 . . . . 2.32 109.79 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.64 137.55 57.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 1.2 111.638 -172.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 15.4 t -132.03 114.67 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 1.16 110.169 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 66' ' ' ILE . 1.6 mm? -106.34 112.25 25.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.456 -0.942 . . . . 1.92 108.456 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 79' ' ' LEU . 32.2 pt -111.06 146.64 15.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.083 0.468 . . . . 1.93 110.916 -175.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.443 ' HB ' HG21 ' A' ' 81' ' ' THR . 99.4 t -88.36 145.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.945 -0.761 . . . . 1.75 108.945 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -58.8 113.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 3.47 112.632 -171.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.446 ' HB3' HD23 ' A' ' 34' ' ' LEU . 12.0 t-20 -112.67 -170.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.719 -1.128 . . . . 5.35 108.264 174.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' H ' ' CG ' ' A' ' 30' ' ' ASN . 15.5 t70 -45.87 140.47 3.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.111 0.482 . . . . 2.29 111.121 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HZ3' ' HB2' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.71 -27.47 62.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.324 -0.853 . . . . 4.11 112.322 -171.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 2.3 mptm? -63.4 -44.94 93.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 3.66 110.431 176.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 30' ' ' ASN . 50.2 tp -63.69 -42.17 98.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.771 -0.649 . . . . 1.98 110.619 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.434 HG21 HG21 ' A' ' 51' ' ' THR . 46.5 mm -51.7 -43.78 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.68 110.595 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -75.15 -49.2 20.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.621 -0.718 . . . . 2.42 111.277 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 20.8 mm-40 -65.72 -41.36 92.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.692 0.256 . . . . 2.53 111.692 -175.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.16 93.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 1.23 110.695 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 41.3 ttt180 -69.18 -36.35 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 3.24 110.171 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.9 mttt -62.97 -45.38 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 2.95 110.558 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.408 ' HE1' ' HA ' ' A' ' 41' ' ' MET . 31.9 mmt -63.39 -36.9 85.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 3.09 110.053 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.03 94.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 1.39 111.189 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.3 mm-40 -66.33 -33.33 75.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 2.57 111.013 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -72.88 -34.16 66.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.194 -0.457 . . . . 3.4 111.17 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 5.03 44.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 1.28 111.696 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.97 54.98 5.6 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.347 -0.842 . . . . 2.82 110.583 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.12 141.1 40.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.599 . . . . 1.77 109.965 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.33 98.54 8.21 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.072 -0.714 . . . . 2.13 109.072 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.714 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 tt -115.41 120.49 39.75 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.31 -0.556 . . . . 2.03 110.711 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.426 ' HB ' HD13 ' A' ' 26' ' ' LEU . 46.6 mm -116.9 138.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.343 -0.844 . . . . 1.95 110.277 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.434 HG21 HG21 ' A' ' 35' ' ' ILE . 29.7 p -90.22 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.28 0.562 . . . . 1.86 110.682 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 53' ' ' PRO . 77.3 t -92.22 144.87 29.7 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.562 -0.744 . . . . 2.44 111.108 -177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.3 162.1 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.409 2.739 . . . . 3.15 111.889 167.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.75 12.39 1.05 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.738 -0.664 . . . . 2.89 114.598 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -98.27 117.5 64.76 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 117.212 0.506 . . . . 1.96 109.873 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.39 -33.89 98.23 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.824 2.349 . . . . 1.5 112.02 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.69 -46.23 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 2.7 110.892 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.51 -26.95 62.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 2.3 111.776 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HA ' HG23 ' A' ' 52' ' ' VAL . . . -65.64 -52.46 51.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.5 -0.318 . . . . 1.43 111.718 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.83 -31.51 50.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.79 0.328 . . . . 1.65 110.869 -177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.95 -26.63 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.064 -0.254 . . . . 3.82 111.048 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -36.47 38.75 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.276 -1.009 . . . . 1.82 108.276 177.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.7 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.041 -0.981 . . . . 1.23 110.686 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -55.56 -41.06 72.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.65 110.709 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.66 -55.3 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.745 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.486 HD12 HD11 ' A' ' 26' ' ' LEU . 52.5 mt -65.97 -37.13 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 121.005 -0.278 . . . . 1.23 111.008 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.57 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 1.28 111.152 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.422 ' OE1' ' HE2' ' A' ' 69' ' ' LYS . 42.0 tt0 -71.39 -43.33 67.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 2.46 110.734 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' A' ' 68' ' ' GLU . 75.3 mmtt -91.76 18.72 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 2.89 111.477 -173.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.77 131.21 42.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.31 -0.405 . . . . 1.43 110.943 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.55 108.42 1.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.298 1.999 . . . . 1.67 111.768 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.99 -154.71 23.19 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.899 -0.667 . . . . 0.91 112.106 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.99 130.24 19.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.498 2.132 . . . . 1.19 111.848 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.93 128.3 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.094 0.473 . . . . 2.13 111.018 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 32.2 mmmt -109.31 113.8 26.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.007 -0.738 . . . . 3.02 109.007 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.437 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.7 t -111.89 134.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.34 -0.391 . . . . 1.87 111.263 -175.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 55.7 tp -125.78 130.73 52.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 1.91 110.047 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HB ' HG11 ' A' ' 106' ' ' VAL . 59.4 t -113.46 126.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.437 -0.347 . . . . 1.67 110.366 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' A' ' 27' ' ' ILE . 16.3 mt -104.62 99.18 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.079 -0.341 . . . . 2.09 110.079 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' THR . 27.5 pt -87.02 131.93 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.422 -0.585 . . . . 2.06 109.422 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.443 HG21 ' HB ' ' A' ' 28' ' ' VAL . 12.2 t -132.18 152.56 51.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.982 0.42 . . . . 2.46 111.145 -174.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 -173.14 28.76 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.65 -0.704 . . . . 1.49 112.481 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 m -89.2 99.23 12.27 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.699 -0.482 . . . . 2.51 109.699 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.64 122.35 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.284 -0.416 . . . . 1.45 110.194 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.85 155.23 72.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.621 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -42.88 -45.07 9.09 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.824 2.349 . . . . 1.57 112.533 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 8.2 m-20 -53.9 -51.9 62.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.853 -0.612 . . . . 2.43 110.701 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.74 -30.33 66.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.579 -0.737 . . . . 2.37 111.171 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -59.23 -43.28 92.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 3.31 109.906 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.5 m -67.18 -41.07 86.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.446 -0.797 . . . . 1.74 110.461 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 29.4 mmtp -65.57 -43.46 89.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.732 -0.667 . . . . 2.79 111.609 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.621 0.248 . . . . 1.31 110.8 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -69.21 -32.15 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.059 0.457 . . . . 2.86 110.56 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -76.52 -46.23 27.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 3.33 110.4 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.44 95.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 1.2 110.964 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.29 70.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.381 . . . . 1.25 111.07 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.47 -47.49 72.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 2.62 110.239 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.56 -41.65 65.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.843 -0.617 . . . . 2.66 110.344 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -64.63 -24.33 67.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.844 -0.616 . . . . 1.18 111.44 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.8 -30.11 69.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 4.33 110.339 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.45 -6.77 59.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 3.62 110.509 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.84 7.95 37.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.925 -0.579 . . . . 3.63 109.711 175.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 75' ' ' LYS . 56.9 t30 67.37 38.96 3.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.936 0.874 . . . . 2.49 110.462 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.437 HG22 ' HB ' ' A' ' 76' ' ' VAL . 46.2 t -109.6 137.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.139 -0.937 . . . . 1.56 110.141 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -120.98 149.8 42.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.642 0.258 . . . . 4.67 110.382 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.412 HG11 ' HB ' ' A' ' 78' ' ' VAL . 33.8 m -122.66 141.71 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 2.17 111.145 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -140.97 147.33 38.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.369 -0.378 . . . . 3.48 110.229 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 12.0 m -97.42 130.07 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.234 0.54 . . . . 1.4 111.285 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.2 t -105.47 125.74 60.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.444 -0.798 . . . . 2.18 109.987 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 1.97 110.54 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -148.66 147.15 23.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 1.95 110.006 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -40.0 -50.92 3.27 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.834 3.023 . . . . 1.29 114.252 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -60.45 -30.73 69.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.322 . . . . 2.48 111.692 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.51 -38.92 88.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.062 0.458 . . . . 2.7 109.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.458 ' O ' HG12 ' A' ' 119' ' ' ILE . . . -67.71 -48.93 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 1.32 111.43 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.63 -31.61 71.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 2.84 110.529 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.0 -49.19 78.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 4.3 109.985 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.87 -32.3 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 4.07 111.119 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 mm -60.63 -50.55 79.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.128 0.49 . . . . 1.44 109.948 175.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.49 -41.22 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.614 -0.721 . . . . 3.15 110.416 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.426 -0.806 . . . . 2.57 110.973 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -86.23 -36.66 19.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 3.77 111.42 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.7 t -64.06 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.393 -0.367 . . . . 1.87 111.501 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.225 0.536 . . . . 4.14 111.988 -172.185 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 121.052 0.453 . . . . 3.78 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 6.6 mp -114.73 124.14 51.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 2.32 109.737 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -113.34 128.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 1.2 111.18 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 19.8 t -112.7 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.602 -0.518 . . . . 1.16 109.602 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB ' ' A' ' 50' ' ' ILE . 80.0 mt -110.77 112.11 23.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.973 0.416 . . . . 1.92 109.949 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.86 130.86 53.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.93 110.205 -173.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.9 95.84 4.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.278 -0.419 . . . . 1.75 110.943 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 8.2 t -175.26 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.091 -0.707 . . . . 3.47 109.091 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -140.95 83.58 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.367 0.603 . . . . 5.35 109.731 167.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 36.7 t70 -125.73 171.27 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.124 -0.944 . . . . 2.29 108.886 173.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 50.5 mtpt -88.31 -69.37 0.7 Allowed 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.165 -0.614 . . . . 4.11 110.814 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 22.3 pttm -59.13 -39.77 83.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 3.66 111.964 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.4 tm? -59.16 -44.77 92.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.172 0.51 . . . . 1.98 109.992 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.09 -46.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.579 -0.737 . . . . 1.68 111.454 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 22.5 mm-40 -52.67 -57.13 11.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.778 0.323 . . . . 2.42 111.584 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.9 mm-40 -61.72 -48.06 82.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.429 . . . . 2.53 111.081 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.86 98.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.388 . . . . 1.23 111.06 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.833 -0.621 . . . . 3.24 110.427 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.63 -44.81 95.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.742 -0.663 . . . . 2.95 111.31 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 25.2 mmt -62.57 -38.7 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 3.09 110.74 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.57 -51.65 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 1.39 110.99 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.58 -39.21 87.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.454 . . . . 2.57 110.543 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -60.83 -36.92 80.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.661 -0.699 . . . . 3.4 110.935 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.64 17.58 21.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 1.28 111.422 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 65.81 43.96 2.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.847 -0.615 . . . . 2.82 112.241 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.0 mm? -103.3 142.55 34.0 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.919 -0.4 . . . . 1.77 109.919 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.31 97.82 8.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.263 -0.643 . . . . 2.13 109.263 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.5 tt -109.19 127.09 53.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 2.03 110.406 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 27.8 mt -122.62 133.11 69.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.545 -0.752 . . . . 1.95 109.822 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -81.19 115.8 20.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.86 110.18 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 53' ' ' PRO . 74.2 t -94.27 147.24 33.0 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.018 -0.537 . . . . 2.44 110.532 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.534 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.2 161.24 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.117 2.545 . . . . 3.15 111.476 165.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.33 12.79 1.7 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 114.701 0.64 . . . . 2.89 114.701 -169.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 p -110.43 134.2 20.9 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 117.451 0.626 . . . . 1.96 110.852 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.49 -25.79 20.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 123.19 2.593 . . . . 1.5 113.692 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.16 -44.06 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 2.7 110.764 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.901 -0.591 . . . . 2.3 111.149 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.487 ' HB3' HG13 ' A' ' 52' ' ' VAL . . . -62.39 -53.2 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 1.43 111.381 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 41.8 mt -68.74 -31.89 52.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.905 -0.589 . . . . 1.65 111.18 -174.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -72.69 -29.98 63.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.778 -0.369 . . . . 3.82 110.371 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.3 tp -72.29 -32.18 66.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.298 -0.63 . . . . 1.82 109.298 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 60' ' ' ILE . . . -59.38 -41.26 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.731 -0.668 . . . . 1.23 110.383 174.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.79 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 2.65 110.818 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.38 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.851 -0.613 . . . . 2.21 109.873 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.68 -41.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 1.23 111.758 -175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.42 -27.69 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.28 111.683 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.82 -22.83 36.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.471 0.653 . . . . 2.46 110.043 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -101.96 10.26 39.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.567 -0.742 . . . . 2.89 110.865 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.01 136.8 19.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 1.43 110.881 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -86.28 108.68 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.392 2.061 . . . . 1.67 112.426 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.3 -163.03 14.25 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.787 -0.72 . . . . 0.91 112.529 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.65 133.48 39.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.001 2.467 . . . . 1.19 111.759 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.51 141.57 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.276 -0.42 . . . . 2.13 110.926 -176.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.69 128.51 49.74 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.25 -1.019 . . . . 3.02 108.25 169.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' HG21 ' A' ' 104' ' ' VAL . 32.9 t -124.11 128.88 74.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.819 0.342 . . . . 1.87 110.552 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.1 tp -120.12 120.67 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 1.91 110.299 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.29 117.64 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.851 -0.613 . . . . 1.67 110.223 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.5 99.63 10.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 2.09 110.511 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.84 110.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.893 -0.594 . . . . 2.06 109.497 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 7.8 m -88.61 124.72 34.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.824 0.345 . . . . 2.46 110.473 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.65 160.99 34.4 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.458 -0.657 . . . . 1.49 111.458 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 p -70.56 122.75 20.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.946 0.403 . . . . 2.51 110.3 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.58 123.12 26.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.45 110.675 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.89 141.28 95.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.302 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -39.68 -49.83 3.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.864 3.042 . . . . 1.57 114.141 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 2.0 p-10 -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.532 0.206 . . . . 2.43 111.127 -176.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.96 -35.26 59.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 2.37 110.675 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HD2' ' O ' ' A' ' 89' ' ' LYS . 3.3 tmmm? -65.78 -36.81 84.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.827 -0.624 . . . . 3.31 109.625 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.4 m -66.5 -43.01 86.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 1.74 110.953 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 43.1 mtmt -64.13 -38.5 91.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.129 0.49 . . . . 2.79 110.082 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.56 77.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.731 -0.668 . . . . 1.31 109.953 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -60.7 -44.94 95.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.751 -0.659 . . . . 2.86 110.179 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -61.12 -50.58 72.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.657 -0.701 . . . . 3.33 111.113 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.55 96.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 1.2 111.308 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.93 86.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.495 -0.321 . . . . 1.25 111.425 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.8 -37.05 86.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.586 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -78.12 -20.41 52.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 2.66 110.507 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.11 31.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.983 -0.553 . . . . 1.18 111.677 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.23 -25.89 62.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 4.33 111.624 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -61.88 -25.12 67.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 3.62 111.71 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -113.79 31.14 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 3.63 111.11 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 59.79 40.95 18.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.761 -0.654 . . . . 2.49 111.671 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.423 HG21 ' HB ' ' A' ' 76' ' ' VAL . 46.1 t -96.38 114.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.973 -0.38 . . . . 1.56 109.973 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 3.7 mpt_? -111.83 145.27 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.194 -0.457 . . . . 4.67 110.472 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.44 134.98 54.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.276 -0.42 . . . . 2.17 110.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.33 152.72 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.315 -0.402 . . . . 3.48 110.009 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 m -113.96 128.73 56.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.022 0.439 . . . . 1.4 110.829 -175.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.62 144.83 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 2.18 110.177 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 p -112.0 -13.88 13.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.338 0.59 . . . . 1.97 110.706 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.42 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 47.8 m -150.09 159.17 35.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.61 -0.723 . . . . 1.95 109.412 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.58 -23.05 54.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.999 2.466 . . . . 1.29 113.279 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.6 -51.67 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.682 -0.235 . . . . 2.48 111.515 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.42 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 1.8 mp0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.758 0.313 . . . . 2.7 110.295 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.11 -46.48 82.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.83 -0.623 . . . . 1.32 110.791 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 2.84 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -70.21 -46.2 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 4.3 110.923 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -63.39 -39.76 95.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 4.07 111.011 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.28 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.656 0.265 . . . . 1.44 110.435 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 3.15 110.87 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.73 -40.74 92.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.199 0.523 . . . . 2.57 109.981 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 71.9 t80 -63.92 -47.78 79.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.08 -0.963 . . . . 3.77 111.352 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 p -64.65 -31.2 72.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.247 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.747 0.785 . . . . 4.14 109.39 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.832 0.349 . . . . 3.78 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.22 103.62 13.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.505 -0.554 . . . . 2.32 109.505 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 25.6 t -115.79 149.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 1.2 110.9 -171.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.19 116.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.649 -0.25 . . . . 1.16 110.498 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.9 mp -106.38 119.95 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.923 -0.769 . . . . 1.92 108.923 171.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.455 HG12 ' OG ' ' A' ' 29' ' ' SER . 13.4 tt -113.86 122.62 68.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.296 0.57 . . . . 1.93 111.345 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.21 99.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.536 -1.283 . . . . 1.75 107.536 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 3.0 m -105.66 142.35 35.55 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.377 0.88 . . . . 3.47 113.377 -163.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -79.17 -169.74 1.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.316 -1.311 . . . . 5.35 108.746 165.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -23.12 134.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.619 0.97 . . . . 2.29 113.619 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 57.2 mtpt -58.9 -17.96 28.97 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.283 1.216 . . . . 4.11 114.283 -166.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.69 -36.21 76.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.889 0.313 . . . . 3.66 110.698 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.418 -0.356 . . . . 1.98 110.262 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 29' ' ' SER . 43.8 mt -56.55 -44.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.7 . . . . 1.68 110.489 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 38.6 mt-10 -55.31 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 2.42 111.425 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.42 -32.29 73.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.551 -0.295 . . . . 2.53 111.756 -175.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.99 65.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.383 . . . . 1.23 110.998 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -66.98 -35.37 79.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 3.24 110.922 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.0 mttt -59.85 -37.91 80.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 2.95 110.754 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.99 -35.14 64.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 3.09 110.837 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.79 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.336 0.589 . . . . 1.39 110.247 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.31 -38.23 90.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 2.57 109.936 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -71.4 -22.96 61.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 3.4 110.488 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.17 8.7 42.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.853 -0.612 . . . . 1.28 111.323 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 59.22 38.92 23.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.518 0.675 . . . . 2.82 110.764 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.9 mt -102.48 168.03 9.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.782 -0.645 . . . . 1.77 110.351 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -109.0 101.33 10.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.069 -0.715 . . . . 2.13 109.069 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -104.93 128.49 53.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.383 0.611 . . . . 2.03 110.725 -176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.1 mt -117.14 130.0 72.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.11 -0.95 . . . . 1.95 110.074 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.8 p -101.96 99.09 9.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.163 -0.472 . . . . 1.86 111.377 -177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.69 82.16 45.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 2.44 110.326 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HB3' ' H ' ' A' ' 29' ' ' SER . 92.1 Cg_endo -90.79 102.41 0.27 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 122.136 1.89 . . . . 3.15 113.602 170.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.95 -51.89 0.14 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.161 -1.495 . . . . 2.89 111.196 158.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -119.77 163.1 29.47 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.136 -0.532 . . . . 1.96 109.577 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.92 -47.81 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 121.382 1.388 . . . . 1.5 110.706 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.01 -36.27 74.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.322 -0.854 . . . . 2.7 111.201 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.52 -56.88 15.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.3 111.576 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' O ' HD21 ' A' ' 26' ' ' LEU . . . -59.65 -39.09 83.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 1.43 111.381 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.8 -35.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 1.65 110.955 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -61.41 -48.55 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 3.82 110.797 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 66' ' ' ILE . 43.0 tp -66.92 -33.17 75.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.937 -0.394 . . . . 1.82 109.937 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.04 90.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 1.23 110.412 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.29 -42.41 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.725 -0.67 . . . . 2.65 110.478 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.704 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.2 mt-10 -60.55 -48.22 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 2.21 111.105 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 62' ' ' LEU . 67.5 mt -60.62 -35.65 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.928 -0.309 . . . . 1.23 110.827 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.95 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 1.28 111.164 178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.84 -35.25 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 2.46 110.666 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 77.1 mttt -90.5 0.67 57.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 2.89 111.064 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.76 120.57 67.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 1.43 110.82 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.6 108.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.232 1.955 . . . . 1.67 112.086 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.55 15.9 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.738 -0.744 . . . . 0.91 112.668 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.78 119.94 7.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.079 2.519 . . . . 1.19 112.86 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.66 139.82 34.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 2.13 110.256 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -146.34 109.51 4.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 3.02 109.811 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 3.5 p -117.77 131.83 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.323 0.583 . . . . 1.87 111.266 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -109.57 130.33 55.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.784 . . . . 1.91 110.008 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 43.4 t -107.16 129.17 61.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.675 -0.491 . . . . 1.67 109.675 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.03 128.29 54.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.409 -0.36 . . . . 2.09 111.069 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.8 mt -105.96 110.35 31.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.85 -0.796 . . . . 2.06 108.85 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 44.7 p -84.36 129.4 34.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.237 0.541 . . . . 2.46 111.578 -175.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.25 -148.65 18.79 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.585 -0.734 . . . . 1.49 111.766 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.879 -0.415 . . . . 2.51 109.879 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.37 111.92 17.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.75 0.309 . . . . 1.45 111.002 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 26.8 t70 -58.06 145.51 72.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.869 -0.605 . . . . 2.07 109.763 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 85' ' ' ASP . 20.9 Cg_exo -32.44 -47.72 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 124.428 3.419 . . . . 1.57 115.209 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.18 -48.63 72.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 2.43 111.32 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -36.13 80.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 2.37 110.379 175.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.8 -35.39 79.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 3.31 110.452 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.9 m -59.16 -48.94 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.74 110.567 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -24.03 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 2.79 111.31 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.33 79.87 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.482 -0.562 . . . . 1.31 109.482 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -79.8 -53.34 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.43 -0.805 . . . . 2.86 110.917 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.5 -52.46 63.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 3.33 111.47 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.31 71.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.508 -0.314 . . . . 1.2 111.331 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.04 -50.52 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.619 0.247 . . . . 1.25 111.282 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 37.5 mt-10 -68.47 -19.7 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 2.62 111.247 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.78 -50.61 8.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.198 0.523 . . . . 2.66 110.31 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.2 -13.69 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.016 -0.538 . . . . 1.18 112.216 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 12.7 ptm180 -59.35 -20.53 55.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.703 0.287 . . . . 4.33 111.502 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.98 -24.4 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.492 . . . . 3.62 110.51 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -101.48 18.98 18.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.779 -0.646 . . . . 3.63 109.796 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.67 29.38 8.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.933 -1.031 . . . . 2.49 110.685 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 76' ' ' VAL . 61.8 t -86.28 134.61 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.583 -0.735 . . . . 1.56 109.249 174.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -135.24 136.7 41.92 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.802 0.334 . . . . 4.67 110.782 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.2 t -118.81 126.04 74.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.135 -0.484 . . . . 2.17 110.483 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -127.22 137.39 52.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.268 -0.424 . . . . 3.48 110.568 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.7 m -94.07 116.93 29.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 1.4 110.306 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' THR . 7.0 m -111.45 109.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.506 0.67 . . . . 2.18 110.599 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -78.45 -14.81 59.2 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.543 -0.753 . . . . 1.97 111.032 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.9 p -136.95 156.54 75.78 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.249 -0.432 . . . . 1.95 110.689 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.67 -34.65 83.51 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.673 2.248 . . . . 1.29 112.158 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.1 -41.92 99.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 2.48 111.002 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 62.6 mm-40 -65.33 -38.36 89.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.44 -0.346 . . . . 2.7 110.765 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -58.39 -51.9 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 1.32 110.432 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 2.84 110.538 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 40.7 ttt180 -57.84 -56.82 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.442 -0.799 . . . . 4.3 110.87 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.455 ' O ' ' HD2' ' A' ' 122' ' ' PHE . 28.3 m95 -66.45 -36.35 82.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 4.07 111.073 -175.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.4 mt -56.17 -38.68 55.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 1.44 110.44 176.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.62 -44.55 42.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 3.15 110.632 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.65 -41.57 97.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.57 111.596 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.455 ' HD2' ' O ' ' A' ' 118' ' ' TRP . 70.0 m-85 -82.46 -16.26 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 3.77 112.397 -176.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 p -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 1.87 110.518 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.14 110.056 177.157 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.716 0.293 . . . . 3.78 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' HB2' HD23 ' A' ' 47' ' ' LEU . 84.6 mt -110.46 105.7 14.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.897 -0.592 . . . . 2.32 109.681 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 24.1 t -115.18 144.29 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.761 -0.654 . . . . 1.2 109.968 -176.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.97 118.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.603 0.24 . . . . 1.16 110.412 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 5.1 mp -106.33 121.05 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.405 -0.591 . . . . 1.92 109.405 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 79' ' ' LEU . 2.4 tp -106.29 121.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.143 0.497 . . . . 1.93 111.077 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -99.86 95.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.788 -0.642 . . . . 1.75 109.501 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -173.9 151.57 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 3.47 109.485 175.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -113.06 83.13 1.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.23 -0.656 . . . . 5.35 109.23 170.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.49 159.22 32.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.023 -0.99 . . . . 2.29 108.911 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -91.16 -64.73 1.09 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.327 -0.549 . . . . 4.11 110.224 174.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.31 -36.0 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.947 -0.57 . . . . 3.66 111.839 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.95 -50.13 57.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.915 -0.402 . . . . 1.98 109.915 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.76 -40.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 1.68 111.286 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 55.2 mt-10 -56.21 -54.56 43.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 2.42 110.993 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 41' ' ' MET . 24.1 tt0 -67.37 -42.0 84.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 2.53 111.228 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.068 0.461 . . . . 1.23 110.584 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -67.28 -42.17 84.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.788 -0.642 . . . . 3.24 110.589 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.0 mtpp -64.56 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 2.95 110.782 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.565 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 84.8 mtp -58.76 -49.96 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 3.09 110.387 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -61.42 -37.89 85.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 1.39 110.655 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.37 -43.71 93.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.167 -0.47 . . . . 2.57 110.941 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.95 -46.01 72.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 3.4 111.25 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.85 -0.83 52.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.176 -0.465 . . . . 1.28 111.675 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.27 35.99 12.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.803 -0.635 . . . . 2.82 111.37 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 23' ' ' LEU . 17.5 mt -93.33 164.6 13.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.55 99.99 11.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 2.13 110.538 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.4 tm? -90.74 121.66 32.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.715 -0.675 . . . . 2.03 109.302 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 44.1 mm -120.72 117.77 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.13 -0.486 . . . . 1.95 110.323 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -95.46 98.98 10.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.224 -0.443 . . . . 1.86 111.39 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.52 81.47 35.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 2.44 110.404 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -90.43 102.27 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.226 1.951 . . . . 3.15 113.307 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.19 -51.27 0.15 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.295 -1.431 . . . . 2.89 111.156 161.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -119.82 160.27 43.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 108.964 -0.754 . . . . 1.96 108.964 166.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.28 -43.96 16.61 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.415 1.41 . . . . 1.5 111.109 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.04 -18.42 60.84 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.706 -0.679 . . . . 2.7 111.272 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.7 -52.56 63.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 2.3 110.284 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.31 72.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.43 110.793 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 HG22 ' A' ' 78' ' ' VAL . 29.4 mm -61.95 -46.15 97.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.078 0.466 . . . . 1.65 110.257 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -66.94 -39.68 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 3.82 111.059 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.51 -32.29 71.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.789 0.328 . . . . 1.82 110.311 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 1.23 110.065 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 60' ' ' ILE . 78.3 mt-30 -59.49 -41.67 90.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.624 -0.716 . . . . 2.65 110.124 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 49.9 mm-40 -58.76 -55.77 30.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.627 -0.715 . . . . 2.21 110.838 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.02 -40.4 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.23 110.925 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.67 94.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.219 0.452 . . . . 1.28 112.219 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 8.1 pt-20 -81.98 -27.5 33.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.759 -0.376 . . . . 2.46 111.473 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.0 mmtp -86.08 -24.95 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.136 -0.226 . . . . 2.89 111.6 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.83 122.63 87.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.766 -0.197 . . . . 1.43 110.983 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.71 108.27 1.42 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.523 2.149 . . . . 1.67 112.022 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.71 -179.0 16.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.854 -0.612 . . . . 0.91 112.044 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.44 124.71 13.74 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.914 2.409 . . . . 1.19 111.79 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.8 t -118.19 132.88 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 2.13 110.608 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -125.83 103.09 7.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.057 -0.72 . . . . 3.02 109.057 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' HG21 ' A' ' 104' ' ' VAL . 2.9 p -108.84 129.4 63.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.559 0.695 . . . . 1.87 111.174 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -102.63 125.53 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.171 -0.922 . . . . 1.91 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.481 HG22 HD12 ' A' ' 60' ' ' ILE . 62.4 t -100.9 115.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.493 0.663 . . . . 1.67 109.698 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 27' ' ' ILE . 12.0 tp -101.93 117.52 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.985 -1.007 . . . . 2.09 109.595 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt -116.2 110.61 32.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 2.06 110.265 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.3 m -107.43 131.14 54.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.432 -0.349 . . . . 2.46 111.235 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.09 -177.92 16.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.831 -0.7 . . . . 1.49 113.053 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -81.44 99.87 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 2.51 109.912 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 130.6 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.986 -0.552 . . . . 1.45 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -75.59 160.03 80.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 2.07 109.964 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -45.68 -49.92 10.14 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.012 2.475 . . . . 1.57 113.237 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.09 -35.87 76.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 2.43 110.804 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -61.74 -40.67 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 2.37 110.43 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 3.31 110.481 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -62.85 -45.01 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.74 110.873 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -60.92 -46.04 92.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 2.79 110.933 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.07 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.31 110.476 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -59.79 -47.9 83.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.032 -0.531 . . . . 2.86 110.682 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 24.8 ttpp -65.31 -55.45 18.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 3.33 110.639 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 60' ' ' ILE . . . -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.694 -0.685 . . . . 1.2 111.946 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -57.32 -51.35 69.73 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.465 -0.334 . . . . 1.25 111.049 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.16 -41.37 94.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.994 0.426 . . . . 2.62 110.61 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 41.1 mt-10 -62.83 -41.02 99.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 2.66 110.978 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.98 34.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.512 . . . . 1.18 111.871 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 68.2 ttt180 -63.5 -11.68 25.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.404 . . . . 4.33 111.15 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -66.55 -21.4 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.203 0.525 . . . . 3.62 110.017 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -106.31 22.34 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.544 -0.753 . . . . 3.63 110.11 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 62.4 29.2 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.738 -0.664 . . . . 2.49 111.762 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.487 HG21 ' CG1' ' A' ' 76' ' ' VAL . 62.8 t -78.91 108.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.432 -0.581 . . . . 1.56 109.432 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -111.95 134.2 53.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.009 -0.541 . . . . 4.67 110.246 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.49 138.43 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.978 0.418 . . . . 2.17 111.134 -177.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.543 ' HA ' ' HE ' ' A' ' 107' ' ' ARG . 3.5 mmp_? -138.33 122.74 18.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.096 -0.502 . . . . 3.48 110.406 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.1 m -86.54 138.81 31.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 1.4 110.234 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.2 t -118.4 126.09 74.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.882 -0.599 . . . . 2.18 110.569 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -114.29 -27.24 7.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 1.97 110.587 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 39.3 t -128.26 140.2 37.65 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.191 -0.67 . . . . 1.95 109.191 176.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 47.8 Cg_exo -54.97 -25.09 42.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.701 2.934 . . . . 1.29 114.244 -172.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.08 -26.24 62.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.614 0.245 . . . . 2.48 110.868 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.62 -44.68 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.459 -0.337 . . . . 2.7 110.562 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.69 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 1.32 110.652 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 31.3 ttpt -63.91 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.239 -0.891 . . . . 2.84 110.649 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.0 ttm105 -74.03 -48.43 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.752 -0.658 . . . . 4.3 110.996 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.425 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 7.6 m95 -56.96 -51.16 70.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.47 -0.332 . . . . 4.07 111.077 -177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.8 mt -55.21 -47.41 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 1.44 111.065 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.19 -43.02 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.447 -0.342 . . . . 3.15 111.281 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.11 -38.62 85.95 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.539 -0.3 . . . . 2.57 111.312 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 47.9 m-85 -77.65 -28.23 51.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.237 -0.185 . . . . 3.77 111.374 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m -69.82 -48.05 60.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.479 -0.563 . . . . 1.87 109.479 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--O 1.235 0.294 0 CA-C-O 121.388 0.613 . . . . 4.14 111.245 173.532 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 27.8 mmt180 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.377 0.608 . . . . 3.78 110.634 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -113.24 113.89 25.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.954 -0.758 . . . . 2.32 108.954 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 66' ' ' ILE . 46.4 t -118.36 145.87 23.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.798 -0.637 . . . . 1.2 111.456 -168.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.37 122.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.271 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.04 110.96 23.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.889 -0.596 . . . . 1.92 109.705 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 tp -114.95 136.44 51.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.142 0.496 . . . . 1.93 110.403 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HB ' ' HA2' ' A' ' 54' ' ' GLY . 32.7 m -88.57 152.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 1.75 109.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 m -69.64 146.49 51.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.956 0.725 . . . . 3.47 112.956 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.519 ' HB3' HG21 ' A' ' 81' ' ' THR . 5.2 p-10 -175.27 -170.94 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.383 -1.28 . . . . 5.35 107.617 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' OD2' ' HB3' ' A' ' 33' ' ' LYS . 25.4 t70 -35.02 118.08 0.42 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.564 0.54 . . . . 2.29 111.016 174.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.27 -24.16 66.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.506 -0.77 . . . . 4.11 112.475 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 8.0 ttpm? -56.94 -48.14 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 3.66 110.326 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 30' ' ' ASN . 8.8 tt -63.24 -43.13 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.98 110.424 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.4 mt -55.42 -46.39 78.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.122 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.9 mt-10 -65.62 -50.58 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 2.42 111.603 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 21.5 mm-40 -63.17 -39.79 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.773 0.321 . . . . 2.53 111.145 -175.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.02 96.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.079 0.466 . . . . 1.23 110.263 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 78.7 ttt180 -64.79 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.756 -0.656 . . . . 3.24 111.077 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.6 mttp -57.7 -48.04 80.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 2.95 111.091 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -72.72 -29.78 63.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.478 -0.328 . . . . 3.09 111.15 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.2 58.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.338 -0.392 . . . . 1.39 110.306 176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.7 -27.98 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.107 -0.497 . . . . 2.57 110.25 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.97 -26.38 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.625 -0.716 . . . . 3.4 111.043 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.7 16.49 18.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.123 0.487 . . . . 1.28 110.818 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.83 49.93 13.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.086 -0.961 . . . . 2.82 111.131 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -98.71 149.47 22.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.453 -0.573 . . . . 1.77 109.453 175.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -81.3 98.82 8.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 2.13 109.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 1.6 tm? -89.16 120.56 30.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.752 -0.462 . . . . 2.03 109.752 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.52 122.81 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.137 -0.483 . . . . 1.95 110.223 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 m -98.42 128.66 44.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 1.86 110.322 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 53' ' ' PRO . 14.1 m -116.79 173.08 3.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.302 -0.408 . . . . 2.44 109.975 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.68 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.2 Cg_endo -47.21 159.69 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.747 2.298 . . . . 3.15 111.891 165.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -71.96 6.85 8.6 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 115.896 -0.593 . . . . 2.89 114.37 -171.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -96.36 138.49 21.52 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.372 0.586 . . . . 1.96 111.153 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -70.5 -22.84 28.14 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.166 2.577 . . . . 1.5 112.91 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.5 -50.78 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 2.7 110.65 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.53 -34.61 77.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.906 -0.588 . . . . 2.3 111.291 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.67 -54.67 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 1.43 111.178 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.74 -36.81 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.432 -0.349 . . . . 1.65 111.201 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -63.74 -31.33 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.956 -0.297 . . . . 3.82 110.847 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.57 ' O ' HG12 ' A' ' 66' ' ' ILE . 30.0 tp -76.85 -33.45 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.738 -0.467 . . . . 1.82 109.738 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -65.48 -29.43 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 1.23 110.892 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -42.78 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 2.65 109.801 172.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.38 -38.21 87.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.629 -0.714 . . . . 2.21 109.739 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 62' ' ' LEU . 50.2 mm -53.98 -58.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 1.23 110.7 176.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.49 70.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 1.28 111.174 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.34 -32.39 70.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 2.46 110.552 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' HZ2' ' A' ' 69' ' ' LYS . 1.7 mmmp? -110.04 21.19 17.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.709 -0.678 . . . . 2.89 110.614 -175.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 112.89 65.01 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.216 -0.447 . . . . 1.43 111.795 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -76.16 109.0 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.885 2.39 . . . . 1.67 111.782 174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 -154.84 21.42 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.572 -0.74 . . . . 0.91 112.83 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.32 119.78 6.82 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.093 2.529 . . . . 1.19 111.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 7.7 p -131.49 138.04 53.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 2.13 111.347 -177.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -133.03 137.79 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.655 -0.869 . . . . 3.02 108.655 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.9 t -121.92 125.39 73.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.041 0.448 . . . . 1.87 111.059 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD11 ' HD2' ' A' ' 107' ' ' ARG . 66.9 tp -101.14 121.64 42.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.071 -0.513 . . . . 1.91 109.902 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.43 118.0 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.876 0.37 . . . . 1.67 110.619 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -98.8 114.24 26.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.041 -0.527 . . . . 2.09 110.208 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 108' ' ' THR . 11.3 pt -112.89 127.0 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.756 -0.461 . . . . 2.06 109.756 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 15.1 t -101.79 143.28 31.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 2.46 111.577 -172.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.58 -166.82 54.33 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.821 -0.627 . . . . 1.49 112.063 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -102.68 110.33 22.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.848 0.356 . . . . 2.51 110.195 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 136.68 54.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 1.45 110.695 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.59 144.53 88.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.823 -0.626 . . . . 2.07 110.132 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -37.47 -48.93 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.595 3.53 . . . . 1.57 114.841 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.66 -50.73 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.835 0.35 . . . . 2.43 111.175 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.48 -31.13 69.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 2.37 110.497 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.32 -45.45 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.737 -0.665 . . . . 3.31 109.83 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.0 m -71.37 -40.88 70.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.76 -0.655 . . . . 1.74 110.949 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.9 -47.78 79.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.804 -0.635 . . . . 2.79 110.67 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.7 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 1.31 110.677 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.44 -51.1 71.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.86 110.718 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -61.99 -42.16 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 3.33 110.61 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.57 68.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.802 -0.635 . . . . 1.2 110.976 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.92 78.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.25 112.102 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.56 -38.76 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.762 -0.375 . . . . 2.62 110.818 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.38 -40.56 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.087 0.47 . . . . 2.66 110.317 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.49 -15.83 62.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.876 -0.602 . . . . 1.18 111.661 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -62.67 -17.29 60.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 4.33 111.08 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.36 -36.31 75.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 3.62 110.418 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -100.44 18.16 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.574 . . . . 3.63 109.724 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.43 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER 65.4 28.81 11.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.949 -1.023 . . . . 2.49 111.727 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 41.0 t -79.59 99.57 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.869 -0.789 . . . . 1.56 108.869 173.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -116.02 139.54 50.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 4.67 111.133 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.53 144.58 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.001 -0.545 . . . . 2.17 111.029 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.484 ' HD3' ' CD2' ' A' ' 118' ' ' TRP . 98.8 mtt180 -139.14 134.83 33.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.911 -0.586 . . . . 3.48 109.716 175.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 28.0 m -89.33 125.17 35.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.973 0.416 . . . . 1.4 110.893 -177.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.5 m -118.69 131.32 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.012 -0.54 . . . . 2.18 110.721 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.1 p -113.97 -18.21 11.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.419 . . . . 1.97 111.026 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 p -135.6 152.82 76.94 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 116.096 -0.502 . . . . 1.95 110.513 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.12 -41.92 55.41 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.732 2.288 . . . . 1.29 112.912 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.51 -44.63 69.26 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.066 -0.515 . . . . 2.48 111.805 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 2.7 110.794 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.63 84.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 1.32 110.654 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.8 -44.69 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 2.84 110.462 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -61.48 -49.77 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.601 -0.727 . . . . 4.3 111.081 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.484 ' CD2' ' HD3' ' A' ' 107' ' ' ARG . 9.9 m95 -65.09 -42.09 94.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 4.07 111.624 -177.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.1 mt -65.83 -42.68 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.667 0.27 . . . . 1.44 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.59 -29.41 67.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.793 0.33 . . . . 3.15 110.236 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -67.78 -43.51 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.22 -0.659 . . . . 2.57 109.22 174.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.85 -23.38 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.029 -0.987 . . . . 3.77 110.406 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.1 m -76.97 -8.08 56.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.445 -0.798 . . . . 1.87 110.999 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.842 0.353 . . . . 4.14 110.755 -178.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.451 HH21 ' CD ' ' A' ' 48' ' ' GLU . 39.0 ttt85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.927 -0.397 . . . . 3.78 109.927 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB2' HD21 ' A' ' 47' ' ' LEU . 2.9 mm? -94.46 118.13 31.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.487 -0.561 . . . . 2.32 109.487 176.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.02 135.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.859 -0.609 . . . . 1.2 109.719 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.51 124.61 71.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.904 0.383 . . . . 1.16 110.941 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.6 mm? -111.53 121.44 45.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.973 -0.558 . . . . 1.92 110.001 176.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.0 mm -113.14 121.04 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.301 -0.259 . . . . 1.93 110.301 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.563 ' CG2' ' HA ' ' A' ' 80' ' ' ILE . 6.3 m -102.08 94.61 3.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.688 0.756 . . . . 1.75 110.655 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -174.76 145.5 0.88 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.224 -0.898 . . . . 3.47 109.416 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -111.06 81.62 1.46 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.712 -0.848 . . . . 5.35 108.712 166.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 30.9 t70 -125.8 131.78 52.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.364 -0.835 . . . . 2.29 109.532 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -64.92 -33.93 77.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.438 -0.347 . . . . 4.11 111.608 -176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -80.54 -56.74 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.829 -0.348 . . . . 3.66 110.898 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 38.0 tp -53.68 -50.32 66.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 1.98 111.341 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 HG23 HG23 ' A' ' 51' ' ' THR . 57.0 mt -60.49 -51.59 71.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 1.68 111.407 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 26.4 mm-40 -67.35 -42.21 83.87 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.657 -0.417 . . . . 2.42 111.801 -176.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 41' ' ' MET . 27.6 tt0 -66.93 -43.98 81.87 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.848 -0.341 . . . . 2.53 110.581 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.18 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.143 0.496 . . . . 1.23 109.867 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -58.81 -47.3 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.384 -0.826 . . . . 3.24 110.631 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.5 mmtp -60.42 -39.83 88.84 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.229 -0.441 . . . . 2.95 111.051 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 33.6 mmt -66.95 -51.4 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 3.09 110.609 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.8 98.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 1.39 111.202 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.93 -43.18 96.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 2.57 110.715 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.47 -32.4 74.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 3.4 111.071 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.31 0.41 56.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.398 -0.365 . . . . 1.28 111.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.12 40.86 21.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.449 -0.796 . . . . 2.82 111.29 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 23' ' ' LEU . 51.7 mt -99.12 175.18 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.748 -0.66 . . . . 1.77 110.251 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 22' ' ' ARG . 34.4 tt0 -110.06 111.59 23.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 2.13 110.292 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 tt -126.54 129.49 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 2.03 110.405 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -121.93 130.32 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.934 -0.576 . . . . 1.95 110.268 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.471 HG23 HG23 ' A' ' 35' ' ' ILE . 14.3 p -93.15 137.11 32.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.219 0.533 . . . . 1.86 110.952 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 53' ' ' PRO . 40.6 t -129.98 149.75 74.02 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.282 -0.872 . . . . 2.44 109.918 -175.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG11 ' A' ' 52' ' ' VAL . 6.9 Cg_endo -49.14 160.43 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.822 2.348 . . . . 3.15 111.493 167.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.77 -1.78 6.88 Favored Glycine 0 C--N 1.317 -0.494 0 N-CA-C 115.503 0.961 . . . . 2.89 115.503 -166.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 p -70.15 116.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 117.731 0.766 . . . . 1.96 110.507 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.93 -47.49 15.32 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.609 2.873 . . . . 1.5 114.306 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 91' ' ' LYS . 25.8 tt0 -65.55 -32.66 74.37 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.713 -0.395 . . . . 2.7 110.809 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -56.57 -46.65 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.545 . . . . 2.3 110.949 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 1.43 111.661 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.31 -35.63 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.082 0.468 . . . . 1.65 110.073 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -69.28 -34.55 74.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 3.82 110.151 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -43.86 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.779 -0.823 . . . . 1.82 108.779 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.87 90.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.183 -0.917 . . . . 1.23 110.878 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.2 88.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 2.65 109.686 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -57.55 -48.09 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.701 -0.682 . . . . 2.21 110.64 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.1 mt -73.09 -43.79 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.584 -0.28 . . . . 1.23 111.751 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.08 83.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.992 0.367 . . . . 1.28 111.992 -174.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.15 -29.19 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 2.46 110.424 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.494 ' HZ1' ' HB3' ' A' ' 69' ' ' LYS . 3.8 mmmp? -101.11 20.17 16.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.747 -0.66 . . . . 2.89 111.11 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 130.68 42.4 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.513 -0.312 . . . . 1.43 111.247 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -86.24 108.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.613 2.208 . . . . 1.67 112.202 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.75 -166.03 22.46 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.887 -0.673 . . . . 0.91 112.366 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.59 127.18 17.48 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.845 2.363 . . . . 1.19 111.799 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.64 143.79 28.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 2.13 110.62 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' HD3' ' HB3' ' A' ' 103' ' ' ASN . 45.6 mmtm -134.81 117.9 16.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.114 -0.699 . . . . 3.02 109.114 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 125.38 63.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.173 0.511 . . . . 1.87 110.686 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -106.93 119.36 39.13 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.614 -0.721 . . . . 1.91 110.041 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.56 122.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.028 0.442 . . . . 1.67 110.127 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.03 105.89 16.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.865 -0.607 . . . . 2.09 110.703 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.563 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 20.2 pt -89.13 119.54 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.444 -0.576 . . . . 2.06 109.444 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 17.1 m -95.27 123.67 38.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 2.46 111.658 -172.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.7 -149.09 16.82 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.003 -0.617 . . . . 1.49 112.118 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 m -109.94 105.94 15.3 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.185 -0.302 . . . . 2.51 110.185 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.23 125.97 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 1.45 110.492 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.04 146.22 99.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.34 -0.615 . . . . 2.07 109.34 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -42.55 -50.94 5.45 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.259 2.639 . . . . 1.57 113.908 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.69 -39.66 64.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 2.43 110.884 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.6 -33.15 75.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 2.37 111.262 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' HZ3' ' HB3' ' A' ' 89' ' ' LYS . 6.0 ttpm? -65.69 -42.09 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.178 -0.464 . . . . 3.31 110.176 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -72.55 -32.9 66.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.153 0.501 . . . . 1.74 110.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 44.6 tptt -61.78 -42.93 99.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.733 -0.667 . . . . 2.79 109.492 176.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.06 70.53 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.415 -0.811 . . . . 1.31 110.19 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 -49.83 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 2.86 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mmmm -55.84 -52.82 62.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 3.33 111.18 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.23 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 1.2 111.359 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.59 77.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.076 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.02 -37.83 81.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 2.62 110.574 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 46.8 mt-10 -72.75 -51.65 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 2.66 110.068 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.84 62.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.316 -0.856 . . . . 1.18 111.79 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -53.04 -34.44 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 4.33 110.898 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -71.7 -11.12 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 3.62 111.189 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -113.82 19.09 16.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.445 . . . . 3.63 110.594 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.439 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 11.6 m120 66.24 46.86 1.94 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.38 -0.827 . . . . 2.49 112.203 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.6 t -103.16 106.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.182 0.515 . . . . 1.56 109.774 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -106.26 108.55 20.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.769 -0.65 . . . . 4.67 110.665 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.26 134.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.493 . . . . 2.17 110.605 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -144.45 153.24 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 3.48 110.095 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.418 ' HA ' HG13 ' A' ' 80' ' ' ILE . 27.6 m -87.22 128.18 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.128 -0.487 . . . . 1.4 111.954 -175.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 81' ' ' THR . 12.9 p -122.38 141.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.299 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 p -120.32 -29.57 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.879 0.371 . . . . 1.97 111.643 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -122.13 141.44 34.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 1.95 110.318 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.503 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 51.2 Cg_exo -54.26 -36.37 86.22 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.187 2.591 . . . . 1.29 113.156 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -62.57 -29.24 70.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.583 -0.28 . . . . 2.48 111.253 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.485 ' HB2' HG22 ' A' ' 109' ' ' VAL . 48.0 mt-10 -65.57 -55.89 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.007 -0.368 . . . . 2.7 110.007 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.53 79.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.907 -0.588 . . . . 1.32 110.317 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.544 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 58.9 tttm -56.66 -34.65 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.339 -0.846 . . . . 2.84 111.206 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -76.86 -45.07 29.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 4.3 110.629 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.466 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 6.7 m95 -62.59 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 4.07 110.971 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.34 -44.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 1.44 110.278 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.01 -38.73 89.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 3.15 110.732 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.33 -42.64 91.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.82 -0.627 . . . . 2.57 110.247 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.466 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 50.0 m-85 -77.23 -26.37 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 3.77 111.498 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.8 m -71.96 -54.19 10.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.945 0.403 . . . . 1.87 111.498 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 4.14 110.925 -174.004 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.353 0.597 . . . . 3.78 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -108.55 113.98 27.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.242 -0.89 . . . . 2.32 108.911 -177.273 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 14.0 t -110.56 131.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.537 -0.302 . . . . 1.2 110.751 -176.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.03 106.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.509 . . . . 1.16 110.415 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.607 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.8 mp -106.45 109.78 21.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.159 -0.682 . . . . 1.92 109.159 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tt -110.61 145.25 17.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 1.93 110.613 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t -88.33 152.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.072 -0.714 . . . . 1.75 109.072 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 12.8 t -59.38 139.19 57.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.289 0.566 . . . . 3.47 111.999 -170.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -152.92 -170.18 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.486 -1.302 . . . . 5.35 107.486 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.0 156.17 7.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.553 0.615 . . . . 2.29 111.905 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 3.4 mppt? -55.0 -42.53 72.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 4.11 110.823 -175.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -60.08 -40.7 90.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 3.66 111.39 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.66 -49.48 46.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.525 -0.307 . . . . 1.98 110.959 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.69 -46.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.403 . . . . 1.68 110.167 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.1 mm-40 -67.79 -44.25 77.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 2.42 111.66 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.55 -46.69 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.517 -0.473 . . . . 2.53 110.848 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.56 73.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.396 0.617 . . . . 1.23 110.338 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 60.4 ttt180 -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.363 -0.835 . . . . 3.24 111.012 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.5 mttm -59.8 -42.79 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 2.95 110.695 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 83.9 mtp -61.33 -43.7 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 3.09 110.297 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.35 95.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.39 110.837 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.46 -37.77 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 2.57 110.904 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.45 -42.01 59.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 3.4 111.325 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.86 6.14 49.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.816 0.302 . . . . 1.28 111.816 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 64.3 41.02 6.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.97 -0.559 . . . . 2.82 111.25 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 23' ' ' LEU . 19.0 mt -95.83 150.77 20.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 1.77 110.099 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 tp10 -81.58 98.79 8.49 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.625 -0.509 . . . . 2.13 109.625 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.4 113.29 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.542 -0.54 . . . . 2.03 109.542 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 42.5 mm -121.74 127.21 75.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 1.95 110.217 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -111.04 99.7 8.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.339 -0.391 . . . . 1.86 110.823 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG23 HG21 ' A' ' 50' ' ' ILE . 50.7 t -127.62 80.52 71.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.307 0.575 . . . . 2.44 110.361 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HB3' ' H ' ' A' ' 29' ' ' SER . 90.8 Cg_endo -91.7 106.27 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.317 2.678 . . . . 3.15 114.621 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.87 -53.19 0.16 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 118.738 -1.696 . . . . 2.89 110.527 158.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.603 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 58.2 m -119.94 174.32 2.97 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 107.844 -1.169 . . . . 1.96 107.844 158.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.97 -32.7 98.01 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 121.402 1.401 . . . . 1.5 111.629 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.603 ' OE2' ' HB2' ' A' ' 55' ' ' SER . 0.1 OUTLIER -73.92 -18.91 60.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.84 -0.618 . . . . 2.7 112.434 -176.259 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.66 -40.07 88.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.204 0.526 . . . . 2.3 110.014 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -70.67 -38.26 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.581 -0.736 . . . . 1.43 110.304 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 44.3 mt -68.52 -35.35 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 1.65 111.288 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.522 HH22 ' HB2' ' A' ' 98' ' ' GLU . 5.1 tpm_? -68.28 -38.76 82.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.006 -0.543 . . . . 3.82 110.261 -178.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -77.93 -26.4 48.94 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.396 -0.594 . . . . 1.82 109.396 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 60' ' ' ILE . . . -55.54 -43.35 75.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.408 -0.814 . . . . 1.23 110.547 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.63 -41.83 95.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.211 -0.45 . . . . 2.65 110.81 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.58 -51.79 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 2.21 110.857 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.98 -37.27 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.23 110.995 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.92 79.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.125 0.488 . . . . 1.28 111.029 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.63 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.565 -0.743 . . . . 2.46 110.6 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -94.95 21.19 7.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 2.89 110.961 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.25 117.92 63.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 1.43 110.775 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.98 108.01 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.325 2.016 . . . . 1.67 111.856 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.89 -147.08 18.51 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.562 -0.745 . . . . 0.91 112.458 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.79 134.41 34.79 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.999 2.466 . . . . 1.19 112.031 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.28 138.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 2.13 111.134 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.74 111.73 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 3.02 109.332 175.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -109.45 126.79 66.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.004 0.431 . . . . 1.87 111.177 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 tp -118.66 131.01 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.768 -0.651 . . . . 1.91 110.497 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.04 125.35 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.441 . . . . 1.67 109.984 175.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HB3' HG22 ' A' ' 109' ' ' VAL . 3.5 mm? -104.01 100.27 10.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.014 -0.539 . . . . 2.09 110.727 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.2 mt -84.34 99.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 2.06 109.334 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -76.44 133.12 39.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.161 -0.472 . . . . 2.46 111.806 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.05 -164.61 48.26 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 121.018 -0.611 . . . . 1.49 112.575 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 p -83.79 126.9 33.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.727 0.299 . . . . 2.51 110.714 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.27 123.87 28.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.898 -0.408 . . . . 1.45 109.898 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.19 150.51 84.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 2.07 110.402 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.42 -51.27 8.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.388 2.726 . . . . 1.57 113.713 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -75.83 -32.14 59.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.834 0.35 . . . . 2.43 110.913 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.83 -33.98 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.917 -0.583 . . . . 2.37 109.967 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 89' ' ' LYS . 5.8 ttpm? -68.64 -33.58 74.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 3.31 110.115 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -69.82 -42.0 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.74 110.464 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 74.2 mmtt -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 2.79 110.216 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.52 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.551 -0.75 . . . . 1.31 110.505 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.99 -50.9 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 2.86 110.248 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -65.23 -41.63 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.881 -0.599 . . . . 3.33 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.419 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . . . -61.74 -49.27 77.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 1.2 110.62 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 1.25 111.685 -177.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -43.01 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.348 0.594 . . . . 2.62 109.991 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.522 ' HB2' HH22 ' A' ' 61' ' ' ARG . 7.4 mm-40 -77.94 -32.08 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 2.66 111.166 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.85 -29.54 61.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 1.18 111.739 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 44.7 mtm180 -64.23 -21.29 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 4.33 110.563 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -71.25 -13.77 62.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.84 -0.618 . . . . 3.62 110.381 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -119.72 22.91 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 3.63 111.016 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 103' ' ' ASN . 1.0 OUTLIER 69.44 31.39 3.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.764 -0.653 . . . . 2.49 112.244 177.086 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.31 133.08 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.399 . . . . 1.56 109.921 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -120.7 132.09 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.381 -0.372 . . . . 4.67 110.329 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.52 141.38 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.304 -0.407 . . . . 2.17 110.106 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 118' ' ' TRP . 99.5 mtt180 -142.44 130.71 22.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.395 -0.366 . . . . 3.48 110.293 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.0 m -82.99 122.55 28.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 1.4 110.403 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 ' CE3' ' A' ' 118' ' ' TRP . 0.1 OUTLIER -99.41 109.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.183 -0.462 . . . . 2.18 110.677 -174.55 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 p -84.61 -38.42 19.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.152 -0.476 . . . . 1.97 111.879 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -122.88 132.9 24.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.795 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.22 -35.99 82.44 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.452 2.768 . . . . 1.29 113.271 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 29.2 t70 -65.81 -38.46 89.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.421 0.629 . . . . 2.48 110.315 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 2.7 tp10 -73.9 -22.96 59.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.315 -0.857 . . . . 2.7 110.325 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.62 77.5 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.151 0.501 . . . . 1.32 110.017 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 113' ' ' ASP . 21.8 ttpp -54.61 -46.65 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 2.84 110.492 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 117' ' ' ARG . 23.7 ttm-85 -65.08 -45.74 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 4.3 110.456 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.504 ' CE3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -52.72 -45.71 67.06 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.865 -0.607 . . . . 4.07 111.681 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.91 -46.18 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.911 0.386 . . . . 1.44 110.492 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.49 -42.18 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 3.15 111.027 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.95 -42.38 90.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.406 . . . . 2.57 111.472 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -75.78 -34.7 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.897 0.379 . . . . 3.77 111.334 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.9 t -78.04 -29.38 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.463 -0.335 . . . . 1.87 111.083 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 4.14 111.266 -175.448 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.873 0.368 . . . . 3.78 110.57 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.08 116.4 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.91 0.386 . . . . 2.32 110.018 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.22 138.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.034 -0.53 . . . . 1.2 110.833 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.47 124.22 54.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.269 -0.423 . . . . 1.16 110.619 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.6 mp -113.09 138.43 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.051 -0.722 . . . . 1.92 109.051 171.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.27 128.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.928 -0.397 . . . . 1.93 109.928 -176.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.98 95.34 3.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.691 -0.232 . . . . 1.75 110.614 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.524 ' OG ' ' HB ' ' A' ' 81' ' ' THR . 49.1 m -171.21 158.8 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.519 -0.919 . . . . 3.47 108.519 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -127.92 81.54 2.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.881 -0.728 . . . . 5.35 109.481 168.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 31.1 t70 -127.28 123.1 35.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.764 -1.107 . . . . 2.29 108.832 171.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.65 -27.41 69.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.721 0.296 . . . . 4.11 111.691 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.558 ' HB3' ' HZ3' ' A' ' 33' ' ' LYS . 6.1 ttpm? -77.33 -53.99 7.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 3.66 110.527 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 43.7 tp -59.17 -53.55 57.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.98 111.971 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.22 -44.81 88.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.618 -0.265 . . . . 1.68 111.351 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.6 mm-40 -66.68 -48.17 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 2.42 111.064 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.64 -41.11 89.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.864 0.364 . . . . 2.53 110.549 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.3 97.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 1.23 110.743 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 3.24 110.474 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.6 mmtp -56.28 -45.9 79.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.643 -0.503 . . . . 2.95 109.643 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.5 mmm -63.94 -43.05 97.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 3.09 111.359 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.53 87.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.721 -0.218 . . . . 1.39 111.026 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -67.85 -36.04 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.574 0.226 . . . . 2.57 110.889 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.6 mttm -66.48 -40.68 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 3.4 110.918 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.02 9.45 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.28 112.147 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 55.93 41.74 29.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.966 -0.561 . . . . 2.82 112.182 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.8 mt -98.24 152.41 19.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.526 . . . . 1.77 110.223 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.19 99.41 12.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.995 -0.743 . . . . 2.13 108.995 172.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tt -95.99 119.1 33.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.537 -0.542 . . . . 2.03 109.537 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.3 mt -111.48 112.21 39.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.728 -0.669 . . . . 1.95 110.101 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -89.05 98.41 11.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.64 -0.709 . . . . 1.86 110.804 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.5 82.51 51.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 2.44 110.668 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.2 102.74 0.31 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.245 1.964 . . . . 3.15 112.587 166.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.59 -51.49 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.002 -1.571 . . . . 2.89 111.117 162.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 38.5 m -118.64 156.73 51.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.263 -0.643 . . . . 1.96 109.263 166.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.527 ' O ' HG12 ' A' ' 60' ' ' ILE . 53.8 Cg_exo -56.07 -52.5 7.16 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.685 1.59 . . . . 1.5 111.061 169.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.58 -23.73 66.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.554 -0.748 . . . . 2.7 111.713 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 21.4 tt0 -59.59 -54.34 47.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.618 -0.264 . . . . 2.3 111.593 -174.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.748 -0.205 . . . . 1.43 110.944 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 56' ' ' PRO . 24.9 mm -61.56 -49.18 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.47 0.652 . . . . 1.65 110.164 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -66.94 -37.26 83.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.312 -0.858 . . . . 3.82 110.533 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.74 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 1.82 110.695 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.4 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 1.23 110.817 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.595 HE22 ' HG3' ' A' ' 98' ' ' GLU . 34.2 tt0 -64.42 -41.44 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.763 -0.653 . . . . 2.65 110.721 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.22 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 2.21 110.233 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.413 HD13 HD13 ' A' ' 26' ' ' LEU . 67.2 mt -62.99 -35.34 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 1.23 110.941 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 1.28 111.024 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.18 -30.99 71.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.973 -0.558 . . . . 2.46 110.563 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -95.55 10.22 37.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 2.89 111.441 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.72 42.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 1.43 110.834 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.09 107.0 1.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 121.91 1.74 . . . . 1.67 112.108 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.92 -128.93 12.44 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.664 -0.698 . . . . 0.91 112.975 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.51 129.4 17.8 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.727 2.285 . . . . 1.19 112.365 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.31 143.83 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.479 . . . . 2.13 110.676 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -137.91 107.82 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.229 -0.656 . . . . 3.02 109.229 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.9 t -107.97 140.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 1.87 111.452 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD11 ' O ' ' A' ' 105' ' ' ARG . 61.2 tp -128.2 133.12 48.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.732 -0.667 . . . . 1.91 109.852 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 21.8 t -116.8 129.58 73.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.982 0.42 . . . . 1.67 110.329 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 79' ' ' LEU . 3.0 mm? -108.69 119.82 40.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.685 -0.689 . . . . 2.09 110.525 -177.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 80' ' ' ILE . 4.4 mp -113.41 99.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.592 -0.521 . . . . 2.06 109.592 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.524 ' HB ' ' OG ' ' A' ' 29' ' ' SER . 11.8 m -86.78 132.57 33.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.765 0.317 . . . . 2.46 110.719 -178.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.78 -163.34 12.33 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.872 -0.68 . . . . 1.49 111.965 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.3 m -110.84 105.04 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.84 0.352 . . . . 2.51 110.838 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.71 128.37 35.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.181 -0.463 . . . . 1.45 110.542 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.28 140.15 97.66 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 2.07 110.525 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -41.11 -49.35 4.65 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.762 2.974 . . . . 1.57 113.9 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 2.0 m-20 -56.2 -53.81 52.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.78 0.324 . . . . 2.43 111.114 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.6 -31.07 68.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 2.37 111.027 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.54 -25.2 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.155 0.503 . . . . 3.31 110.079 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.8 m -84.21 -35.75 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 1.74 110.11 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 75.5 mmtt -63.9 -46.83 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.489 . . . . 2.79 110.183 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.692 -0.685 . . . . 1.31 110.241 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.9 -51.12 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.549 . . . . 2.86 111.094 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.02 -43.55 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 3.33 109.873 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.03 84.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 1.2 110.876 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.82 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 1.25 111.309 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.6 -31.86 72.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.976 0.417 . . . . 2.62 110.563 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.595 ' HG3' HE22 ' A' ' 64' ' ' GLN . 16.5 tp10 -72.17 -35.28 68.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.944 -0.571 . . . . 2.66 110.174 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.88 -13.65 47.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 1.18 111.448 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.39 -38.89 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 4.33 111.634 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -74.11 -4.01 33.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 3.62 111.59 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -103.16 20.72 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.996 0.427 . . . . 3.63 110.081 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.08 34.86 16.17 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.315 -0.857 . . . . 2.49 110.499 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -101.69 131.99 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.611 -0.722 . . . . 1.56 110.292 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.437 ' O ' HD11 ' A' ' 77' ' ' LEU . 30.5 mmm180 -119.53 133.2 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.389 -0.369 . . . . 4.67 110.14 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.5 m -123.16 134.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.174 -0.466 . . . . 2.17 110.048 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -151.01 147.61 27.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 3.48 111.834 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 94.5 m -82.5 135.79 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 1.4 110.466 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.92 129.42 57.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.888 -0.596 . . . . 2.18 110.043 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -85.48 -31.12 22.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 1.97 111.372 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -161.7 145.89 9.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.342 -0.614 . . . . 1.95 109.342 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -40.49 -40.1 3.08 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.435 2.757 . . . . 1.29 113.732 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.69 -41.56 43.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.62 -0.718 . . . . 2.48 111.411 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.65 -45.25 75.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.778 -0.646 . . . . 2.7 110.341 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.43 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 1.32 110.552 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.16 -38.38 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.598 -0.728 . . . . 2.84 109.824 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.26 -46.03 90.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.589 . . . . 4.3 110.852 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -66.02 -39.84 90.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.398 -0.365 . . . . 4.07 111.107 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 -41.82 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.991 0.424 . . . . 1.44 110.095 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HZ1' ' HB3' ' A' ' 120' ' ' LYS . 8.5 mtpm? -66.6 -48.19 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 3.15 111.038 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.15 -42.82 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 2.57 111.868 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.45 -29.88 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.571 0.224 . . . . 3.77 111.36 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -81.39 -43.98 18.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.061 0.458 . . . . 1.87 109.867 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.529 0.17 0 CA-C-N 114.687 -1.142 . . . . 4.14 111.728 177.297 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.919 0.39 . . . . 3.78 110.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 47' ' ' LEU . 2.7 mm? -89.87 130.94 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.2 -0.455 . . . . 2.32 110.275 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.47 127.03 69.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 1.2 110.403 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 60.4 t -116.24 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.222 -0.445 . . . . 1.16 110.126 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD23 ' HB ' ' A' ' 50' ' ' ILE . 64.7 mt -119.13 109.53 15.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.341 0.591 . . . . 1.92 109.897 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -107.31 128.01 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.34 -0.846 . . . . 1.93 111.099 -171.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -109.45 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 1.75 110.18 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.422 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 5.6 t -174.23 140.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.857 -0.794 . . . . 3.47 108.857 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.05 83.25 1.96 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.878 -0.729 . . . . 5.35 109.687 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -125.16 166.75 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.011 -0.995 . . . . 2.29 109.607 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -91.83 -69.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.581 -0.448 . . . . 4.11 110.812 174.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.92 -22.7 66.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.203 0.445 . . . . 3.66 112.203 -172.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -80.02 -33.49 39.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.752 -0.462 . . . . 1.98 109.752 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.17 -47.76 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 1.68 111.093 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.3 mt-10 -58.32 -51.01 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 2.42 111.437 -177.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -36.61 79.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.45 -0.341 . . . . 2.53 111.223 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.68 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 1.23 110.106 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.45 -48.32 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.423 -0.808 . . . . 3.24 110.838 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.2 mttp -60.43 -52.49 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 2.95 110.951 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.6 mmm -60.49 -36.17 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 3.09 111.278 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.42 59.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 1.39 111.913 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.03 -32.14 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.595 -0.442 . . . . 2.57 110.909 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -76.21 -19.42 58.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 3.4 110.625 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.59 10.66 39.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.28 110.771 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 61.01 43.95 10.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.581 -0.736 . . . . 2.82 111.324 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 23' ' ' LEU . 37.5 mt -109.89 155.79 21.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.77 109.967 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -99.61 99.23 10.06 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.344 -0.613 . . . . 2.13 109.344 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.2 tt -111.64 128.09 55.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.087 0.47 . . . . 2.03 110.773 -176.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.8 mt -123.18 133.21 69.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.781 . . . . 1.95 110.093 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.2 p -82.65 110.37 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.134 0.492 . . . . 1.86 110.208 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.557 HG11 ' O ' ' A' ' 53' ' ' PRO . 62.9 t -87.33 145.55 37.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 2.44 111.067 -175.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.557 ' O ' HG11 ' A' ' 52' ' ' VAL . 7.0 Cg_endo -49.99 161.32 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.021 2.481 . . . . 3.15 111.564 168.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.64 12.46 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 115.554 0.982 . . . . 2.89 115.554 -167.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.438 ' HB2' ' CG ' ' A' ' 58' ' ' GLU . 36.9 m -104.7 134.01 19.88 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 118.063 0.931 . . . . 1.96 110.399 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HG3' ' HB3' ' A' ' 88' ' ' GLU . 71.5 Cg_endo -71.68 -36.96 5.77 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.038 2.492 . . . . 1.5 113.248 -173.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.07 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 2.7 110.977 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 8.7 mm-40 -61.01 -43.67 98.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 2.3 110.349 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.52 83.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.102 -0.499 . . . . 1.43 111.023 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -65.48 -48.83 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.274 0.559 . . . . 1.65 110.575 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -76.9 -14.6 59.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 3.82 111.029 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -77.43 -42.44 36.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.439 -0.949 . . . . 1.82 108.439 171.641 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 1.23 110.5 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -57.5 -37.06 72.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.617 -0.719 . . . . 2.65 110.761 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -73.86 -33.72 64.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 2.21 110.626 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -85.52 -52.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.443 -0.344 . . . . 1.23 111.912 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.81 87.38 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.8 0.667 . . . . 1.28 112.8 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.21 -35.45 77.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.085 0.469 . . . . 2.46 110.764 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -85.82 2.42 45.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.37 -0.377 . . . . 2.89 111.399 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.83 118.44 66.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.493 -0.322 . . . . 1.43 110.765 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -82.56 108.67 1.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.199 1.932 . . . . 1.67 111.584 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.25 -174.68 19.89 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.91 111.91 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -72.43 118.89 5.81 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.787 2.325 . . . . 1.19 111.794 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.53 144.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.166 0.507 . . . . 2.13 111.448 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -143.28 140.17 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 3.02 108.948 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 139.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.365 -0.38 . . . . 1.87 110.76 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.21 121.37 44.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.317 -0.623 . . . . 1.91 109.317 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.446 ' HB ' HG21 ' A' ' 106' ' ' VAL . 86.1 t -103.7 122.88 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.011 0.434 . . . . 1.67 110.095 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.626 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.2 mm? -115.1 108.35 16.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.763 -0.653 . . . . 2.09 111.177 -174.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.4 121.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.019 -0.734 . . . . 2.06 109.019 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 8.6 m -106.88 128.5 54.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.321 -0.399 . . . . 2.46 110.711 -175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.0 -158.03 15.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.745 -0.741 . . . . 1.49 111.903 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -92.93 127.22 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.338 -0.245 . . . . 2.51 110.338 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.02 128.82 39.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 1.45 110.897 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.91 135.79 96.45 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 2.07 109.967 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.51 -50.31 4.73 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.444 2.763 . . . . 1.57 113.967 -175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.07 -44.65 72.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.857 0.361 . . . . 2.43 110.658 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' HB3' ' HG3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -64.98 -36.52 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 2.37 110.856 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.22 -0.445 . . . . 3.31 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.6 m -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.808 -0.633 . . . . 1.74 110.502 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -64.11 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 2.79 111.281 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.06 -46.49 67.71 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.154 -0.476 . . . . 1.31 110.198 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 20.0 pttp -73.07 -31.95 64.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.116 -0.493 . . . . 2.86 110.772 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -50.16 64.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 3.33 109.843 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.89 72.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 1.2 110.451 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 1.25 111.402 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 41.6 mt-10 -69.89 -22.14 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 2.62 111.153 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.191 0.52 . . . . 2.66 109.837 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.65 62.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 1.18 112.468 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -16.02 60.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 4.33 111.03 -179.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -60.94 -33.67 73.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.19 0.519 . . . . 3.62 110.397 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.33 20.38 11.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 3.63 110.191 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 63.46 38.91 9.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.31 -0.859 . . . . 2.49 111.283 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.81 114.11 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 1.56 110.034 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -107.36 131.34 54.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.163 -0.472 . . . . 4.67 110.21 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 78' ' ' VAL . 19.0 t -117.08 130.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.252 -0.431 . . . . 2.17 110.392 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.87 158.13 43.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.94 0.4 . . . . 3.48 111.199 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.2 m -101.54 128.91 47.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.613 -0.721 . . . . 1.4 110.624 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 m -114.59 141.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.997 0.427 . . . . 2.18 110.155 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -113.69 -22.95 9.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.125 -0.489 . . . . 1.97 111.595 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.0 p -126.79 146.82 58.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 1.95 111.178 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.62 -23.24 74.65 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.934 2.423 . . . . 1.29 111.569 173.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.415 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 6.0 m-20 -63.37 -47.01 83.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.845 -0.616 . . . . 2.48 109.845 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.22 -37.56 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.274 -0.875 . . . . 2.7 109.613 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.789 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -56.96 -53.23 60.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.291 -0.868 . . . . 1.32 111.95 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 23.1 pttp -65.53 -20.34 66.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.677 0.275 . . . . 2.84 111.445 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -79.35 -48.12 14.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.072 -0.251 . . . . 4.3 111.385 -178.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.789 ' NE1' ' HA ' ' A' ' 115' ' ' ALA . 29.5 p-90 -66.53 -26.5 67.17 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.839 -0.744 . . . . 4.07 110.933 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 115' ' ' ALA . 69.5 mt -60.04 -55.58 23.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.707 0.289 . . . . 1.44 110.842 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.33 -35.45 79.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 3.15 110.706 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.06 -26.58 61.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.57 111.095 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -90.5 -18.9 24.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 3.77 110.878 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.7 t -69.97 -34.93 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 1.87 110.935 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.408 -0.36 . . . . 4.14 110.226 179.606 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 2.1 mmp_? . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.426 -0.583 . . . . 3.78 109.426 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.2 mt -89.27 99.5 12.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.516 . . . . 2.32 109.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.04 131.69 49.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.2 110.71 -176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.2 t -119.33 133.75 65.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.782 -0.644 . . . . 1.16 109.407 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -121.63 133.41 54.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.159 -0.312 . . . . 1.92 110.159 178.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -124.02 140.48 47.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.983 0.421 . . . . 1.93 110.471 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.04 135.14 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 1.75 110.263 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.5 m -59.91 139.63 57.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.316 0.579 . . . . 3.47 111.715 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.502 ' H ' HD12 ' A' ' 35' ' ' ILE . 60.5 t30 -172.07 -172.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.644 -1.243 . . . . 5.35 107.644 -174.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' H ' ' CG ' ' A' ' 30' ' ' ASN . 13.2 t70 -41.75 133.93 2.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.101 0.477 . . . . 2.29 110.602 174.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -22.58 63.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 4.11 112.918 -170.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -67.54 -37.6 82.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.943 0.401 . . . . 3.66 110.28 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 HD21 ' A' ' 30' ' ' ASN . 6.9 tp -70.07 -45.83 66.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 1.98 110.36 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 30' ' ' ASN . 65.5 mt -61.32 -41.53 90.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.661 -0.7 . . . . 1.68 110.281 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.45 -40.45 89.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.535 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 13.5 tp10 -60.4 -47.46 85.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 2.53 110.214 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.99 94.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.494 . . . . 1.23 110.588 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.73 -52.85 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 3.24 110.862 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 50.6 mtmt -48.33 -52.93 19.31 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.555 0.534 . . . . 2.95 111.688 177.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.28 -42.89 65.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.195 -0.457 . . . . 3.09 112.024 -173.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.45 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.694 0.283 . . . . 1.39 111.028 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -38.34 83.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.352 -0.385 . . . . 2.57 110.882 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.69 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 3.4 110.577 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.67 2.26 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 1.28 111.191 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 66.18 33.05 7.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.851 -0.613 . . . . 2.82 111.509 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.51 145.06 24.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.947 -0.57 . . . . 1.77 109.544 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.54 99.45 10.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.026 0.441 . . . . 2.13 110.028 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 59.7 tp -97.85 127.47 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 2.03 111.537 -175.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.97 129.84 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 1.95 109.771 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.3 p -88.05 128.14 35.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.461 . . . . 1.86 111.023 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 53' ' ' PRO . 19.4 t -114.76 146.68 36.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 2.44 110.606 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG13 ' A' ' 52' ' ' VAL . 6.8 Cg_endo -48.37 160.44 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.245 2.63 . . . . 3.15 112.312 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.23 -4.78 31.28 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.359 -0.837 . . . . 2.89 114.801 -169.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 m -90.18 118.74 69.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 117.478 0.639 . . . . 1.96 110.711 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -54.51 -26.85 47.19 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.526 2.817 . . . . 1.5 112.809 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.12 -48.54 64.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.456 -0.793 . . . . 2.7 111.089 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -81.09 -27.43 35.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.657 . . . . 2.3 111.375 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' CA ' HG11 ' A' ' 52' ' ' VAL . . . -58.4 -52.14 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.987 0.422 . . . . 1.43 111.187 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.43 -36.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 1.65 110.485 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 -69.34 -30.58 68.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 3.82 110.437 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.526 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -72.69 -43.12 63.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.383 -0.599 . . . . 1.82 109.383 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.43 81.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 1.23 111.232 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.61 -37.98 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 2.65 110.689 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.35 -49.48 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 2.21 110.596 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.92 -42.45 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 120.909 -0.317 . . . . 1.23 111.147 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' CB ' ' HB3' ' A' ' 102' ' ' TRP . . . -66.64 -34.88 78.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.946 0.403 . . . . 1.28 111.389 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -71.21 -38.38 72.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 2.46 110.467 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HB3' ' HZ1' ' A' ' 69' ' ' LYS . 2.6 mmmp? -96.67 20.08 11.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.947 -0.569 . . . . 2.89 111.425 -175.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.38 120.92 55.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.274 -0.421 . . . . 1.43 111.009 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.24 107.96 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.184 1.922 . . . . 1.67 111.86 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.27 -171.3 13.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.994 -0.622 . . . . 0.91 111.801 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.76 119.56 6.6 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.487 2.125 . . . . 1.19 111.553 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.22 143.17 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.99 0.424 . . . . 2.13 111.278 -175.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -150.6 127.31 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.348 -0.612 . . . . 3.02 109.348 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 t -111.19 139.73 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.047 0.451 . . . . 1.87 111.661 -170.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -115.27 124.21 50.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.719 -0.673 . . . . 1.91 109.76 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.37 119.62 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 1.67 110.637 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.1 mm? -96.17 99.79 11.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.769 -0.65 . . . . 2.09 110.041 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.7 pt -90.62 138.06 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.541 -0.54 . . . . 2.06 109.541 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -125.77 154.47 42.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.839 0.352 . . . . 2.46 111.03 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.42 178.15 51.36 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.863 -0.608 . . . . 1.49 112.173 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 m -90.09 99.46 12.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.712 -0.477 . . . . 2.51 109.712 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.52 7.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.78 -0.645 . . . . 1.45 110.46 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -66.09 150.82 96.37 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 2.07 110.146 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.83 -45.27 6.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.762 2.974 . . . . 1.57 114.002 -174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.85 -50.75 72.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 2.43 111.329 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.38 -34.55 63.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.639 -0.255 . . . . 2.37 111.197 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.99 -48.65 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 3.31 110.755 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.0 m -64.99 -37.15 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.74 110.561 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -66.51 -38.35 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 2.79 110.144 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.56 73.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.136 -0.484 . . . . 1.31 110.1 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -65.38 -44.64 86.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 2.86 111.002 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -64.43 -42.5 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.854 0.359 . . . . 3.33 110.154 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.0 97.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 1.2 110.476 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 1.25 110.968 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.97 -41.69 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 2.62 110.011 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -73.59 -48.51 32.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.78 -0.646 . . . . 2.66 110.973 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.401 ' HA ' ' CE3' ' A' ' 102' ' ' TRP . . . -72.0 -13.51 61.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 1.18 112.176 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.36 -29.48 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.91 0.386 . . . . 4.33 111.333 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -63.85 -16.44 61.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.037 -0.529 . . . . 3.62 111.406 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 67' ' ' ALA . 25.5 m-90 -103.4 11.02 37.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.674 0.273 . . . . 3.63 111.492 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 63.43 65.54 0.75 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.726 -0.67 . . . . 2.49 110.714 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.66 135.33 59.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.914 -0.585 . . . . 1.56 109.916 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -120.67 120.68 36.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 4.67 110.326 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 m -95.72 129.72 45.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.168 -0.469 . . . . 2.17 110.142 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -137.17 151.57 48.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.068 -0.345 . . . . 3.48 110.068 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.3 m -96.98 130.78 44.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 1.4 111.482 -175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.53 109.45 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 2.18 110.718 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.7 p -84.7 -40.18 17.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 1.97 110.534 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -126.38 160.83 55.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.725 -0.671 . . . . 1.95 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.5 -28.3 73.08 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.344 2.029 . . . . 1.29 111.724 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.25 -34.92 64.44 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.691 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.74 -48.1 41.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.576 -0.738 . . . . 2.7 110.121 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.0 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 1.32 110.491 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.8 -48.13 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 2.84 111.309 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 118' ' ' TRP . 12.4 ptm180 -72.39 -39.9 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 4.3 111.539 -175.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.485 ' N ' ' HG3' ' A' ' 117' ' ' ARG . 6.6 m95 -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.439 -0.504 . . . . 4.07 110.651 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.51 -32.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.063 -0.517 . . . . 1.44 110.515 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.95 -42.05 34.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.475 . . . . 3.15 110.883 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.31 -30.47 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.52 . . . . 2.57 111.727 -174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -84.57 -37.15 21.54 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.003 -0.279 . . . . 3.77 111.558 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 p -69.6 -38.4 77.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.178 -0.209 . . . . 1.87 110.72 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.474 0.654 . . . . 4.14 110.757 178.589 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.437 ' SD ' ' HE2' ' A' ' 75' ' ' LYS . 48.2 tpp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.044 0.45 . . . . 3.54 110.208 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 2.6 tpm_? -100.05 130.32 46.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.734 -0.469 . . . . 3.78 109.734 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.62 138.06 44.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.0 -0.37 . . . . 2.32 110.0 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.3 136.64 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.649 -0.705 . . . . 1.2 110.352 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.6 t -124.18 117.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.613 -0.514 . . . . 1.16 109.613 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' ' 50' ' ' ILE . 37.4 mt -112.13 116.13 29.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.177 -0.465 . . . . 1.92 110.008 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.1 tt -105.88 126.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.03 -0.532 . . . . 1.93 111.028 -173.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.7 t -102.35 96.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.922 -0.581 . . . . 1.75 110.286 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -174.13 173.83 3.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 3.47 110.314 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -136.06 83.16 1.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.148 -1.056 . . . . 5.35 108.148 167.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 24.6 t70 -126.43 168.65 13.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 2.29 110.348 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.5 mppt? -91.57 -69.38 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.772 -0.371 . . . . 4.11 110.446 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.14 -44.46 94.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.731 -0.668 . . . . 3.66 112.326 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 37.2 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 1.98 110.726 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.74 -34.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 1.68 110.554 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 43.7 mt-10 -58.77 -62.61 1.74 Allowed 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.119 -0.326 . . . . 2.42 110.119 173.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.28 -35.55 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 2.53 111.52 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -49.66 63.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.309 -0.405 . . . . 1.23 110.659 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 74.1 ttt180 -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 3.24 111.19 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.19 -36.12 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.03 0.443 . . . . 2.95 110.621 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.459 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 92.8 mmm -67.19 -46.74 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.902 -0.59 . . . . 3.09 110.181 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 1.39 111.842 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 78.1 mm-40 -58.99 -44.85 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 2.57 111.149 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.53 -10.94 59.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.3 -0.409 . . . . 3.4 111.822 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.494 ' C ' HD21 ' A' ' 46' ' ' ASN . . . -119.06 22.57 11.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.704 -0.225 . . . . 1.28 110.935 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.494 HD21 ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 38.72 48.1 1.27 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.041 1.336 . . . . 2.82 113.207 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.6 mt -101.57 144.99 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.56 -0.746 . . . . 1.77 109.603 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.9 98.44 10.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.671 -0.492 . . . . 2.13 109.671 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.4 tt -110.13 124.71 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.043 0.449 . . . . 2.03 110.487 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.454 ' HB ' HD21 ' A' ' 26' ' ' LEU . 65.9 mt -120.61 134.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.49 -0.777 . . . . 1.95 110.258 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -81.5 121.98 26.97 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.889 -0.596 . . . . 1.86 111.345 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 53' ' ' PRO . 70.9 t -109.29 142.07 24.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.969 -0.56 . . . . 2.44 110.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.595 ' O ' HG12 ' A' ' 52' ' ' VAL . 10.6 Cg_endo -54.64 161.03 6.37 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.765 2.31 . . . . 3.15 111.534 169.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.39 13.58 0.17 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.53 0.972 . . . . 2.89 115.53 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 p -100.83 129.55 27.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.916 0.858 . . . . 1.96 110.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.46 -34.56 12.03 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.356 2.704 . . . . 1.5 113.921 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -65.57 -38.77 90.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 2.7 110.501 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.27 -45.75 76.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.605 -0.725 . . . . 2.3 110.706 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' A' ' 52' ' ' VAL . . . -64.27 -50.42 68.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.725 -0.67 . . . . 1.43 111.755 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 95' ' ' ALA . 45.0 mm -65.5 -40.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 1.65 111.174 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -66.1 -31.49 72.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.049 -0.26 . . . . 3.82 110.618 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.68 -37.68 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.804 -0.443 . . . . 1.82 109.804 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.19 86.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 1.23 110.399 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.87 -42.04 88.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.777 -0.647 . . . . 2.65 110.474 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 56.6 mm-40 -66.89 -50.76 61.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.378 . . . . 2.21 110.941 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.08 -44.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.693 -0.231 . . . . 1.23 111.203 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.82 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 1.28 110.934 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -58.03 -53.04 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 2.46 111.145 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.9 mttm -85.91 12.84 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.649 -0.705 . . . . 2.89 111.223 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 126.07 56.59 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.267 -0.424 . . . . 1.43 111.069 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.32 107.98 2.57 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.971 1.781 . . . . 1.67 111.038 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.64 -166.04 24.99 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.73 -0.748 . . . . 0.91 112.299 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -79.61 136.17 12.09 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.135 2.557 . . . . 1.19 112.461 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 22' ' ' ARG . 12.8 m -130.49 163.17 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 2.13 110.789 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 65.1 mttm -129.37 118.54 22.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.975 -0.75 . . . . 3.02 108.975 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.502 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.3 t -112.11 128.45 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.153 0.501 . . . . 1.87 111.326 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.78 127.12 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.648 -0.706 . . . . 1.91 109.862 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.43 129.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.02 -0.363 . . . . 1.67 110.02 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -117.49 110.69 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.73 0.3 . . . . 2.09 111.132 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -93.57 127.08 45.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.653 -0.499 . . . . 2.06 109.653 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 20.5 m -97.7 132.81 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.086 0.402 . . . . 2.46 112.086 -174.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.6 -151.04 26.12 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.73 -0.668 . . . . 1.49 113.054 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 t -96.7 138.36 34.38 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.017 -0.364 . . . . 2.51 110.017 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.66 130.59 46.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.215 -0.448 . . . . 1.45 110.367 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.48 158.19 74.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.942 -0.392 . . . . 2.07 109.942 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.7 -48.45 12.18 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.935 2.423 . . . . 1.57 112.02 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.72 -48.92 78.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 2.43 110.987 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.99 -42.32 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 2.37 110.459 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.12 -38.28 87.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.65 -0.705 . . . . 3.31 110.472 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -63.79 -42.73 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.74 110.091 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.04 -46.28 88.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 2.79 110.636 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 1.31 110.659 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -67.25 -53.76 27.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 2.86 110.637 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.95 -39.51 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 3.33 110.801 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.447 ' HB3' HG23 ' A' ' 60' ' ' ILE . . . -63.8 -44.54 92.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 1.2 111.31 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.51 78.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.787 0.327 . . . . 1.25 110.964 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.53 -44.94 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.341 -0.614 . . . . 2.62 109.341 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -70.85 -47.57 58.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.664 . . . . 2.66 110.481 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -59.84 -23.75 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 1.18 112.489 -175.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -55.74 -35.65 66.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 4.33 110.656 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -80.05 -11.4 59.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 3.62 110.974 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -100.95 11.73 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.005 -0.543 . . . . 3.63 109.941 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.435 HD21 ' HA ' ' A' ' 75' ' ' LYS . 3.1 t30 63.14 42.84 6.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.21 -0.905 . . . . 2.49 110.299 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 76' ' ' VAL . 22.0 t -117.97 136.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 1.56 109.92 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -125.29 136.36 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 4.67 110.271 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.53 128.88 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.073 -0.512 . . . . 2.17 110.694 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -128.31 151.3 49.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.737 0.304 . . . . 3.48 110.409 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -97.36 136.78 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 1.4 110.672 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.2 m -126.09 148.33 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.481 . . . . 2.18 110.373 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 p -120.57 -41.09 2.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.164 0.507 . . . . 1.97 110.753 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 49.5 m -120.53 158.11 52.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.654 . . . . 1.95 109.77 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HA ' HD11 ' A' ' 34' ' ' LEU . 32.2 Cg_exo -61.49 -19.89 66.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.631 2.221 . . . . 1.29 112.318 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.79 -43.76 87.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 2.48 110.46 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.48 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 8.2 mp0 -66.29 -47.17 74.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 2.7 110.536 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.23 -50.64 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 1.32 110.74 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.459 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 40.2 ttmt -56.76 -40.46 75.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.84 110.615 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.481 ' HD2' ' CZ3' ' A' ' 118' ' ' TRP . 38.5 ttm180 -65.06 -49.81 68.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 4.3 111.271 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.481 ' CZ3' ' HD2' ' A' ' 117' ' ' ARG . 2.2 m95 -63.72 -34.89 78.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.436 -0.347 . . . . 4.07 110.527 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.18 -35.22 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.196 -0.456 . . . . 1.44 110.35 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.88 -52.74 61.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 3.15 110.777 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.37 -35.28 80.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.108 0.48 . . . . 2.57 110.855 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -75.15 -25.06 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 3.77 111.022 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.2 t -59.53 -71.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.87 111.827 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -148.34 13.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 4.14 111.128 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.092 -0.48 . . . . 6.29 110.408 -176.149 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.392 -0.225 . . . . 3.54 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -100.77 108.67 20.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.032 0.444 . . . . 3.78 110.057 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HB3' HD21 ' A' ' 47' ' ' LEU . 4.5 tt -104.86 128.04 52.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.85 -0.796 . . . . 2.32 108.85 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' N ' HD23 ' A' ' 23' ' ' LEU . 47.2 t -106.51 127.25 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.757 -0.656 . . . . 1.2 110.172 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.9 119.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.827 0.346 . . . . 1.16 110.874 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -105.75 109.79 21.87 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.18 -0.674 . . . . 1.92 109.18 173.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 138.23 38.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.689 -0.485 . . . . 1.93 109.689 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -87.8 129.66 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.216 -0.447 . . . . 1.75 109.94 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -58.76 150.92 22.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.869 -0.605 . . . . 3.47 112.278 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.63 ' ND2' HG21 ' A' ' 81' ' ' THR . 4.7 p30 -179.21 -170.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 5.35 107.968 -171.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -43.88 133.5 4.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.46 0.648 . . . . 2.29 111.186 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -53.25 -27.25 21.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.821 -1.082 . . . . 4.11 113.594 -172.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -61.73 -46.04 91.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.96 0.41 . . . . 3.66 111.129 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 3.2 tm? -68.33 -42.24 79.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.98 110.309 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.46 HD12 ' H ' ' A' ' 30' ' ' ASN . 52.6 mt -62.11 -48.96 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.68 110.891 -178.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.09 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 2.42 111.436 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.78 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 2.53 110.304 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.35 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 1.23 110.361 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -60.93 -41.45 96.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 3.24 110.764 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HZ1' ' HB3' ' A' ' 40' ' ' LYS . 9.6 mtpm? -60.06 -47.14 87.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 2.95 110.91 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 92.7 mmm -63.65 -37.46 87.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 3.09 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.48 55.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 1.39 110.854 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.37 -19.05 61.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.323 . . . . 2.57 111.251 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -66.58 -41.38 88.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 3.4 110.363 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.82 43.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 1.28 111.057 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 61.64 49.16 5.17 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.451 -0.795 . . . . 2.82 111.466 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 23' ' ' LEU . 17.0 mt -105.58 159.06 16.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 1.77 109.871 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.84 113.05 24.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.318 -0.253 . . . . 2.13 110.318 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -115.72 140.74 48.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 2.03 111.088 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' ' 26' ' ' LEU . 84.9 mt -130.8 131.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.556 -0.747 . . . . 1.95 109.819 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.9 m -93.02 109.71 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.425 . . . . 1.86 110.013 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 53' ' ' PRO . 6.2 m -89.0 168.98 14.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.526 . . . . 2.44 111.288 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.623 ' O ' HG22 ' A' ' 52' ' ' VAL . 10.0 Cg_endo -54.64 159.47 8.73 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.613 2.208 . . . . 3.15 111.622 167.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.65 10.26 4.11 Favored Glycine 0 C--N 1.318 -0.428 0 CA-C-N 115.811 -0.631 . . . . 2.89 114.282 -173.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -100.04 137.31 20.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 117.412 0.606 . . . . 1.96 110.72 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.74 -27.38 21.88 Favored 'Trans proline' 0 N--CA 1.466 -0.106 0 C-N-CA 123.24 2.626 . . . . 1.5 112.379 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 11.2 tp10 -59.78 -56.61 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 2.7 110.14 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.21 -29.29 70.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.437 -0.801 . . . . 2.3 111.502 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.52 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 1.43 111.006 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.8 -35.06 35.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 1.65 110.719 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 80.2 mtp180 -62.2 -39.06 91.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 3.82 110.506 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -52.26 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.82 109.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.81 94.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.238 -0.892 . . . . 1.23 111.562 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.39 -37.2 82.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.544 -0.753 . . . . 2.65 110.681 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.04 -51.62 37.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 2.21 110.597 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.44 -42.2 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 1.23 111.434 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.15 94.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.972 0.415 . . . . 1.28 111.191 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -67.65 -45.33 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 2.46 110.625 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 18.93 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.693 -0.685 . . . . 2.89 111.56 -174.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.6 116.73 66.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.63 -0.259 . . . . 1.43 110.582 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.35 107.67 1.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.203 1.935 . . . . 1.67 111.738 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.32 -149.26 18.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.012 -0.614 . . . . 0.91 112.379 176.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.27 142.84 21.75 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.647 2.231 . . . . 1.19 111.957 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -153.72 144.4 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 2.13 110.55 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -128.57 123.96 34.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.502 -0.555 . . . . 3.02 109.502 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.7 133.89 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.846 0.355 . . . . 1.87 110.98 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 105' ' ' ARG . 48.6 tp -119.43 130.35 55.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.901 -0.59 . . . . 1.91 109.72 177.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.92 127.53 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.681 0.277 . . . . 1.67 110.374 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 79' ' ' LEU . 2.8 mm? -112.49 100.02 8.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 2.09 110.923 -176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -80.8 124.63 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.322 -0.622 . . . . 2.06 109.322 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.63 HG21 ' ND2' ' A' ' 30' ' ' ASN . 17.8 p -87.51 143.72 27.07 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 2.46 112.401 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 -136.66 15.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.571 -0.74 . . . . 1.49 111.988 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 141.49 45.42 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.56 -0.533 . . . . 2.51 109.56 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.66 109.76 21.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.913 0.387 . . . . 1.45 110.528 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.418 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 28.1 m-20 -72.18 161.65 77.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.78 -0.646 . . . . 2.07 110.258 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 85' ' ' ASP . 68.5 Cg_exo -42.31 -50.71 5.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.494 2.796 . . . . 1.57 114.348 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.99 -48.03 59.81 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.866 0.365 . . . . 2.43 110.836 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.79 -43.4 80.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.784 -0.644 . . . . 2.37 110.667 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -65.88 -40.34 91.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.522 -0.763 . . . . 3.31 110.656 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.4 m -69.6 -42.49 74.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 1.74 110.976 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 97.5 mttt -62.29 -40.6 96.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 2.79 110.719 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.84 76.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.924 -0.58 . . . . 1.31 109.936 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 25.9 ttpp -61.43 -53.79 51.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 2.86 111.361 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 21.3 pttp -57.87 -36.3 72.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.907 0.384 . . . . 3.33 111.227 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.58 32.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.228 -0.442 . . . . 1.2 110.75 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 1.25 110.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 45.9 mt-10 -66.28 -29.89 70.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.225 -0.443 . . . . 2.62 110.391 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -76.56 -40.26 50.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 2.66 109.768 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.49 -14.18 60.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.725 -0.67 . . . . 1.18 111.527 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.21 -23.7 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 4.33 110.736 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.04 -16.46 61.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.9 -0.591 . . . . 3.62 111.261 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -119.25 12.12 12.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.093 0.473 . . . . 3.63 110.766 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 60.29 72.67 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.924 -1.035 . . . . 2.49 111.284 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.27 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 1.56 109.625 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.584 ' O ' HD11 ' A' ' 77' ' ' LEU . 5.7 tpm_? -86.95 99.96 12.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.893 -0.594 . . . . 4.67 110.858 -173.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -94.68 135.69 28.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 2.17 110.186 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -150.06 163.8 37.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 3.48 110.302 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 m -101.89 132.09 47.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.201 -0.454 . . . . 1.4 111.276 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 115' ' ' ALA . 75.1 t -113.89 113.29 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.511 -0.768 . . . . 2.18 110.289 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -101.57 -26.03 13.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.398 0.618 . . . . 1.97 109.829 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 13.3 p -128.33 137.66 31.35 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.584 -0.735 . . . . 1.95 110.07 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 53.7 Cg_exo -52.73 -27.83 35.46 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.635 2.89 . . . . 1.29 113.737 -177.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.15 -35.59 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 2.48 110.819 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.44 -57.06 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 2.7 110.583 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' ' 109' ' ' VAL . . . -53.25 -45.63 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.455 -0.338 . . . . 1.32 110.992 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -64.13 -36.98 85.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 2.84 111.442 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -80.91 -39.15 26.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.552 -0.459 . . . . 4.3 111.134 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -70.89 -37.6 73.0 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 111.601 0.223 . . . . 4.07 111.601 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.07 -39.63 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.094 0.473 . . . . 1.44 109.792 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' HB3' ' HZ2' ' A' ' 120' ' ' LYS . 6.0 ttpm? -69.53 -41.14 76.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 3.15 110.841 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.94 -41.09 83.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.729 0.299 . . . . 2.57 111.17 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -73.59 -21.69 60.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.167 0.508 . . . . 3.77 110.324 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -87.28 -47.51 8.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 1.87 111.025 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 68.27 -75.0 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 4.14 109.994 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.243 0.744 0 CA-C-O 118.609 -0.71 . . . . 6.29 109.588 176.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.947 -0.39 . . . . 3.54 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NH2' ' HB2' ' A' ' 48' ' ' GLU . 26.5 tpt180 -112.97 125.17 54.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.907 0.384 . . . . 3.78 110.845 -176.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.59 124.0 50.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 2.32 109.458 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 48.5 t -121.05 147.22 25.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 1.2 110.664 -174.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 40.5 t -125.73 126.45 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.98 -0.378 . . . . 1.16 109.98 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -116.39 123.21 47.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.85 -0.426 . . . . 1.92 109.85 175.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 tt -120.54 147.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.156 -0.474 . . . . 1.93 110.426 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.2 t -88.25 134.04 29.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.251 -0.648 . . . . 1.75 109.251 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.6 m -60.11 114.9 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.481 . . . . 3.47 111.755 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -134.52 -171.35 2.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 5.35 108.565 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -46.64 145.09 2.0 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.571 0.701 . . . . 2.29 112.495 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -36.84 -51.97 0.91 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 113.965 -1.47 . . . . 4.11 114.667 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.93 -34.4 78.32 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.249 0.463 . . . . 3.66 112.249 -170.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 63.0 tp -64.58 -46.81 81.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.833 0.349 . . . . 1.98 110.427 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -32.2 53.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 1.68 110.39 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 22.9 mm-40 -70.62 -63.44 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.496 . . . . 2.42 110.908 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.1 -41.53 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.001 0.371 . . . . 2.53 112.001 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 1.23 110.992 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -77.44 -32.01 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.409 -0.359 . . . . 3.24 110.693 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 28.6 mtpp -65.2 -34.02 77.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.847 0.356 . . . . 2.95 110.405 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.9 mmm -70.22 -38.77 75.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 3.09 110.107 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -63.61 -44.23 94.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.661 -0.7 . . . . 1.39 110.61 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.27 -27.22 68.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.576 . . . . 2.57 110.556 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.11 -59.87 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 3.4 110.901 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.71 20.2 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.308 0.484 . . . . 1.28 112.308 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 63.37 67.77 0.64 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.391 0.615 . . . . 2.82 111.372 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 42' ' ' ALA . 2.5 mm? -119.05 142.27 48.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.004 -0.544 . . . . 1.77 109.788 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 36.3 tt0 -88.63 103.49 15.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.125 -0.694 . . . . 2.13 109.125 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.608 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.3 tt -105.95 135.68 46.97 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.896 -0.322 . . . . 2.03 111.12 -174.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.36 134.14 67.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.191 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -92.43 128.14 38.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.592 -0.276 . . . . 1.86 110.786 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 53' ' ' PRO . 4.5 m -112.33 167.52 9.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.757 -0.201 . . . . 2.44 111.414 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.62 ' O ' HG22 ' A' ' 52' ' ' VAL . 9.9 Cg_endo -55.39 160.52 8.69 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.002 2.468 . . . . 3.15 112.224 168.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.99 32.94 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.101 -0.954 . . . . 2.89 114.821 -172.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 m -91.6 132.23 33.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.641 0.721 . . . . 1.96 111.087 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.543 ' O ' HG12 ' A' ' 60' ' ' ILE . 63.2 Cg_endo -69.62 -24.63 30.12 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 123.06 2.507 . . . . 1.5 113.11 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.42 -37.54 86.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 2.7 110.643 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.02 -39.32 75.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 2.3 109.928 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -59.45 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.523 -0.762 . . . . 1.43 111.191 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 56' ' ' PRO . 31.7 mm -65.83 -48.49 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.29 -0.414 . . . . 1.65 110.912 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -61.88 -40.71 96.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 3.82 111.197 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -62.13 -49.92 73.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 1.82 109.485 177.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -64.72 -32.79 74.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.386 . . . . 1.23 111.624 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.18 -40.21 95.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.156 0.503 . . . . 2.65 109.736 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.517 ' HB3' ' HZ2' ' A' ' 69' ' ' LYS . 49.8 mt-10 -71.33 -33.57 69.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.796 -0.638 . . . . 2.21 110.866 176.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 63' ' ' ALA . 32.9 mm -49.59 -58.38 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 CA-C-O 120.872 0.368 . . . . 1.23 110.499 174.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.66 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.62 -0.718 . . . . 1.28 111.18 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.64 -33.85 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 2.46 111.234 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.517 ' HZ2' ' HB3' ' A' ' 65' ' ' GLU . 24.7 mttp -100.83 6.17 43.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 2.89 111.173 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.44 131.35 44.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.666 -0.243 . . . . 1.43 111.052 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -83.04 108.39 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.432 2.088 . . . . 1.67 112.336 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.08 -163.63 17.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.781 -0.723 . . . . 0.91 112.633 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.0 120.65 7.93 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.965 2.443 . . . . 1.19 111.673 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.52 142.86 37.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.255 -0.429 . . . . 2.13 111.385 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.42 136.9 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.706 -0.679 . . . . 3.02 109.476 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 5.8 p -128.82 133.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.229 0.538 . . . . 1.87 111.132 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.3 tp -103.83 123.85 47.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.594 -0.73 . . . . 1.91 110.33 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -103.76 120.4 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 1.67 110.238 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.9 mm? -99.87 103.53 15.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 2.09 110.207 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -83.97 117.75 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 2.06 109.64 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.1 p -83.71 119.17 24.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 2.46 111.674 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.17 -177.24 47.5 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.889 -0.672 . . . . 1.49 112.225 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -85.89 130.12 34.64 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.069 -0.345 . . . . 2.51 110.069 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.91 115.66 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 1.45 110.804 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.52 160.59 75.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 2.07 110.571 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -37.56 -50.84 1.78 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.11 3.207 . . . . 1.57 115.288 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.48 -47.7 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.944 -0.302 . . . . 2.43 110.798 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.67 -42.46 92.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.313 0.578 . . . . 2.37 109.835 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.8 -39.44 91.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.086 -0.961 . . . . 3.31 109.998 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.7 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 1.74 110.821 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.35 -41.69 80.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 2.79 110.471 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.51 -45.08 61.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.782 -0.645 . . . . 1.31 111.454 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -62.18 -34.31 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.646 0.26 . . . . 2.86 111.577 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.69 -51.38 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 3.33 110.525 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.63 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 1.2 111.292 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -66.17 -29.49 69.78 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.42 -0.355 . . . . 1.25 110.955 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.02 -45.09 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.976 0.417 . . . . 2.62 109.993 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -65.94 -49.14 69.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 2.66 110.374 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.79 -16.9 62.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 1.18 111.99 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 39.8 ttm180 -59.08 -27.17 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 4.33 111.323 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -62.18 -29.38 70.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.205 0.526 . . . . 3.62 110.392 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -90.28 18.82 5.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 3.63 110.551 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 66.62 29.68 8.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.816 -0.629 . . . . 2.49 111.28 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.422 HG22 ' CG1' ' A' ' 76' ' ' VAL . 98.3 t -82.77 111.97 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 1.56 109.683 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -104.67 130.97 52.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 4.67 109.946 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.3 m -109.82 126.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 2.17 111.234 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 4.1 mmp_? -129.48 142.45 50.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.199 -0.455 . . . . 3.48 110.128 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.2 m -90.47 129.44 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 1.4 110.426 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.8 t -125.61 126.73 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.16 -0.473 . . . . 2.18 110.737 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.1 p -113.44 -26.94 8.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.975 0.417 . . . . 1.97 110.709 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.4 p -130.3 146.51 61.93 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-O 121.093 0.473 . . . . 1.95 110.446 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.493 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 13.0 Cg_endo -56.43 -26.62 63.96 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.895 3.064 . . . . 1.29 114.037 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 22.7 t70 -66.08 -34.25 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 2.48 110.482 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.18 -47.77 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 2.7 110.491 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.97 -51.84 66.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.32 111.17 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -68.97 -21.73 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 2.84 110.94 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.4 tmm_? -74.93 -49.12 21.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.536 -0.542 . . . . 4.3 109.536 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -59.72 -54.43 46.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.166 -0.47 . . . . 4.07 110.718 177.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.7 mt -55.53 -39.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 1.44 111.228 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -59.57 -41.97 91.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.326 . . . . 3.15 111.108 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -38.17 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.513 -0.312 . . . . 2.57 111.577 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.45 -21.5 63.72 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.084 -0.246 . . . . 3.77 111.373 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.3 m -81.72 -36.05 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.899 -0.408 . . . . 1.87 109.899 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.33 -42.17 88.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.805 -0.634 . . . . 4.14 109.837 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.184 -0.916 . . . . 6.29 109.32 178.483 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.573 ' SD ' ' HE2' ' A' ' 75' ' ' LYS . 56.8 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.916 -0.401 . . . . 3.54 109.916 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -88.94 135.87 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.877 0.37 . . . . 3.78 110.905 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CB ' HD23 ' A' ' 47' ' ' LEU . 2.8 mm? -107.17 99.83 9.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.748 -0.66 . . . . 2.32 109.293 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.5 t -98.93 116.25 41.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.223 -0.444 . . . . 1.2 111.004 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 13.9 t -109.91 115.33 49.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.559 -0.534 . . . . 1.16 109.559 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 32.5 mt -113.56 125.59 54.35 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.774 -0.454 . . . . 1.92 109.774 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.85 130.5 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.835 0.35 . . . . 1.93 111.208 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.82 97.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 1.75 109.742 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -172.15 149.2 2.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.848 -0.615 . . . . 3.47 109.665 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -115.73 77.49 1.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.295 1.045 . . . . 5.35 109.126 166.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.9 t70 -128.17 110.35 12.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.233 -1.349 . . . . 2.29 108.176 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 pttt -56.56 -32.11 64.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.885 0.698 . . . . 4.11 112.885 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -79.71 -50.43 10.62 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.71 -0.396 . . . . 3.66 111.026 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 36.7 tp -55.56 -43.64 76.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 1.98 110.831 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.35 -52.27 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 1.68 111.335 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 8.9 pt-20 -73.75 -40.02 63.81 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.26 -0.576 . . . . 2.42 111.65 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 41' ' ' MET . 70.0 mm-40 -58.89 -44.92 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 2.53 110.934 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 1.23 110.867 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.69 -46.35 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.296 -0.562 . . . . 3.24 110.285 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 89.9 mttt -48.82 -50.66 33.39 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.345 0.403 . . . . 2.95 111.239 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 15.8 ptm -71.24 -41.34 70.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 3.09 111.783 -177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.16 56.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 1.39 111.412 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.41 -26.2 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 2.57 110.322 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -69.65 -34.1 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.788 -0.449 . . . . 3.4 109.788 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.35 9.56 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 1.28 110.809 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.81 32.83 5.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.554 -0.748 . . . . 2.82 111.26 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.553 HD11 ' OG ' ' A' ' 123' ' ' SER . 11.6 mt -95.93 166.09 11.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.852 -0.796 . . . . 1.77 108.852 173.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.59 103.46 12.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.639 0.733 . . . . 2.13 110.031 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.8 tt -105.57 121.69 44.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.646 -0.706 . . . . 2.03 109.906 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.408 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 66.6 mt -117.5 132.34 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.606 -0.724 . . . . 1.95 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -84.43 123.97 30.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.069 -0.514 . . . . 1.86 110.557 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.6 t -99.71 144.97 29.32 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.88 -0.6 . . . . 2.44 110.134 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.563 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -49.75 160.59 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.61 2.206 . . . . 3.15 111.124 166.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.13 11.47 1.41 Allowed Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.796 -0.638 . . . . 2.89 114.537 -169.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -96.18 114.7 64.75 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 117.475 0.638 . . . . 1.96 109.547 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.52 ' HG2' ' HB3' ' A' ' 88' ' ' GLU . 53.6 Cg_exo -61.17 -30.33 88.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.096 2.531 . . . . 1.5 112.678 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 91' ' ' LYS . 9.9 pt-20 -65.3 -37.43 87.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 2.7 110.992 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.96 -36.97 78.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 2.3 110.05 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.76 -48.21 82.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.694 . . . . 1.43 112.216 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 56' ' ' PRO . 16.4 mm -64.71 -38.32 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.21 0.529 . . . . 1.65 110.132 -177.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 98.5 mtt180 -68.85 -32.67 72.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.576 -0.738 . . . . 3.82 110.315 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -42.02 87.78 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.136 -0.69 . . . . 1.82 109.136 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.53 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.23 110.545 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.38 -39.4 79.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 2.65 110.658 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 10.7 mm-40 -63.25 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 2.21 110.856 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.62 -47.75 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 1.23 111.767 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.97 -38.63 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.602 0.593 . . . . 1.28 112.602 -172.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.7 -33.6 66.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.737 0.303 . . . . 2.46 110.992 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 67.4 mmtt -84.72 -13.37 51.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.806 -0.358 . . . . 2.89 110.743 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 74' ' ' VAL . . . -80.71 121.53 81.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.358 -0.383 . . . . 1.43 111.171 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 108.02 2.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.17 1.914 . . . . 1.67 111.86 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.07 -176.21 16.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.774 -0.727 . . . . 0.91 112.16 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' O ' ' HA ' ' A' ' 21' ' ' MET . 12.4 Cg_exo -70.15 119.41 6.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.915 2.41 . . . . 1.19 111.848 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 70' ' ' ALA . 66.0 t -131.87 146.88 32.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.914 -0.585 . . . . 2.13 109.793 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.573 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -134.62 139.74 45.55 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.625 . . . . 3.02 109.314 174.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 28.2 t -122.05 137.03 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.38 -0.373 . . . . 1.87 110.624 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.2 109.32 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.531 -0.914 . . . . 1.91 108.531 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.1 p -103.76 123.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 121.587 0.708 . . . . 1.67 110.321 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 107' ' ' ARG . 79.2 mt -107.2 108.41 19.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.202 -0.908 . . . . 2.09 110.566 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 pt -91.68 123.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.928 -0.397 . . . . 2.06 109.928 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.613 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 9.4 m -99.42 131.88 45.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.38 -0.373 . . . . 2.46 111.134 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.61 -164.37 13.99 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.892 -0.671 . . . . 1.49 112.492 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -99.29 116.62 31.89 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.004 -0.369 . . . . 2.51 110.004 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.14 122.75 24.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.176 -0.465 . . . . 1.45 110.145 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -73.21 157.6 88.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.584 -0.525 . . . . 2.07 109.584 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -36.81 -51.01 1.4 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.135 3.223 . . . . 1.57 114.298 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 23.1 t70 -61.41 -57.21 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.65 0.262 . . . . 2.43 110.849 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 46.4 mt-10 -57.45 -40.28 78.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 2.37 110.983 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.25 -43.96 98.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 3.31 110.59 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -71.4 -40.69 70.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 1.74 110.66 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 57' ' ' GLU . 32.5 mmtp -56.44 -53.59 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.031 -0.531 . . . . 2.79 110.85 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -19.45 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.958 -0.565 . . . . 1.31 111.14 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -77.45 -55.92 4.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.093 -0.503 . . . . 2.86 110.758 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.9 -39.23 76.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 3.33 110.444 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.52 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.361 . . . . 1.2 110.968 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.32 83.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.412 . . . . 1.25 111.004 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -67.16 -26.79 66.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 2.62 110.536 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.61 -43.29 10.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 2.66 110.498 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.25 61.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 1.18 112.163 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -64.72 -10.78 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.394 -0.192 . . . . 4.33 111.406 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.7 -30.39 67.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.981 0.419 . . . . 3.62 110.7 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.1 m-90 -111.48 32.21 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 3.63 110.317 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.11 37.63 24.08 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.336 -0.847 . . . . 2.49 111.642 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -89.9 127.99 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.108 -0.496 . . . . 1.56 109.738 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 7.2 ptp180 -127.87 144.47 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.882 0.372 . . . . 4.67 110.804 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 t -109.86 128.23 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 2.17 110.463 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 28.2 ttm180 -136.72 133.62 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.941 0.401 . . . . 3.48 110.377 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m -88.67 136.4 33.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.057 -0.519 . . . . 1.4 111.34 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 81' ' ' THR . 30.8 m -125.71 140.25 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 2.18 110.258 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -120.41 -6.49 9.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.532 . . . . 1.97 111.034 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.7 m -150.06 142.13 15.46 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.471 . . . . 1.95 109.992 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.17 -32.66 82.89 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.193 2.595 . . . . 1.29 112.452 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.414 0.626 . . . . 2.48 109.953 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 9.4 mm-40 -74.19 -45.23 49.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.096 -0.957 . . . . 2.7 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.84 74.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.32 110.542 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HE3' ' A' ' 41' ' ' MET . 37.3 ttpt -56.77 -46.99 81.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.321 -0.854 . . . . 2.84 111.313 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 8.4 ptp180 -68.94 -29.35 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.832 -0.347 . . . . 4.3 110.548 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.89 -44.69 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 4.07 110.666 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.08 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 1.44 110.227 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -58.95 -46.19 88.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.966 0.412 . . . . 3.15 110.315 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.08 -31.13 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 2.57 110.685 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -80.03 -27.08 39.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.689 -0.687 . . . . 3.77 110.896 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.553 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.3 m -78.23 -38.69 42.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 1.87 111.171 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.35 125.9 49.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 4.14 110.874 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.749 -0.66 . . . . 6.29 110.834 -178.135 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.185 -0.302 . . . . 3.54 110.185 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB2' HG21 ' A' ' 74' ' ' VAL . 30.7 mmm180 -129.75 143.8 50.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.765 -0.198 . . . . 3.78 110.853 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.78 114.88 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 2.32 109.262 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 38.4 t -121.9 136.41 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.049 0.452 . . . . 1.2 111.56 -170.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.7 t -121.18 116.15 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 1.16 109.821 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.3 mt -115.45 113.94 24.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.791 0.329 . . . . 1.92 110.651 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.82 133.01 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 1.93 110.795 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.22 94.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.75 109.993 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -175.91 -179.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 3.47 110.217 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -144.84 81.79 1.66 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.859 -0.793 . . . . 5.35 108.859 163.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -125.43 122.11 35.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 2.29 108.585 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -66.89 -32.13 73.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.125 0.417 . . . . 4.11 112.125 -171.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.17 -46.17 21.24 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.575 -0.45 . . . . 3.66 110.324 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.23 -54.03 51.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 1.98 110.724 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -61.29 -52.29 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 1.68 112.057 -174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 48.8 mt-10 -61.63 -56.47 19.51 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.191 -0.204 . . . . 2.42 111.537 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.9 -34.18 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 2.53 110.972 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.3 -46.56 66.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 1.23 110.45 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HA ' HD11 ' A' ' 49' ' ' LEU . 40.9 ttt180 -65.9 -35.24 80.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 3.24 111.196 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mmmm -59.8 -41.17 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 2.95 110.615 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 mmt -78.59 -30.18 46.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.243 -0.435 . . . . 3.09 110.556 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -53.37 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 1.39 111.461 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.02 -20.28 63.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.082 0.468 . . . . 2.57 110.665 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.6 -23.53 60.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.776 -0.647 . . . . 3.4 109.82 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 13.69 30.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.711 -0.677 . . . . 1.28 111.147 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 62.51 33.86 15.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.054 -0.521 . . . . 2.82 111.415 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.83 143.71 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.77 110.022 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -89.6 98.52 11.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.24 -0.652 . . . . 2.13 109.24 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 39' ' ' ARG . 9.4 tt -106.03 126.55 52.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 2.03 110.822 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.15 131.75 67.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.329 -0.85 . . . . 1.95 109.847 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -94.71 128.03 41.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.313 0.577 . . . . 1.86 111.331 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.3 t -102.04 149.01 36.17 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.189 -0.914 . . . . 2.44 110.106 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -48.15 161.62 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.744 2.296 . . . . 3.15 111.332 165.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.05 13.45 0.35 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.243 0.857 . . . . 2.89 115.243 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 10.9 p -89.81 125.11 62.01 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 117.749 0.774 . . . . 1.96 110.82 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.94 -45.14 0.75 Allowed 'Trans proline' 0 C--N 1.335 -0.175 0 C-N-CA 123.211 2.608 . . . . 1.5 113.906 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -73.38 -34.24 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.576 0.226 . . . . 2.7 111.406 -175.554 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.22 -36.02 78.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.147 0.498 . . . . 2.3 110.417 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.45 81.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 1.43 110.975 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 51.1 mt -71.63 -33.03 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.215 -0.448 . . . . 1.65 110.227 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 47.1 mtp180 -66.41 -37.63 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.752 -0.462 . . . . 3.82 109.752 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -43.8 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.908 -0.775 . . . . 1.82 108.908 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.28 93.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 1.23 110.806 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 25.2 tp60 -57.53 -41.71 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.61 . . . . 2.65 110.572 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.58 -56.34 18.83 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.044 -0.526 . . . . 2.21 111.241 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 52.6 mt -58.7 -37.55 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 1.23 110.713 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 74' ' ' VAL . . . -61.85 -53.81 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 1.28 111.503 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 10.6 pt-20 -71.55 -27.67 63.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 2.46 111.502 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -91.14 4.16 52.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.643 -0.253 . . . . 2.89 111.112 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 66' ' ' ILE . . . -84.81 133.31 43.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.679 0.276 . . . . 1.43 111.622 -176.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.56 108.66 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.225 1.95 . . . . 1.67 111.947 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.69 -169.99 37.83 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.755 -0.657 . . . . 0.91 112.114 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 123.56 13.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.736 2.291 . . . . 1.19 111.394 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 22' ' ' ARG . 13.2 p -111.36 137.99 41.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.265 0.555 . . . . 2.13 110.578 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.93 101.32 7.78 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.772 -0.825 . . . . 3.02 108.772 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 104' ' ' VAL . 6.0 p -128.53 137.57 56.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.152 0.501 . . . . 1.87 110.957 -177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -133.17 144.67 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 1.91 110.256 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -101.59 131.16 49.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 1.67 109.774 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.574 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.0 mm? -111.0 99.88 8.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 2.09 111.163 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 108' ' ' THR . 32.9 pt -94.84 153.63 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.917 -0.771 . . . . 2.06 108.917 173.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 p -68.83 153.47 43.73 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.527 -0.469 . . . . 2.46 110.506 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA2' ' HB ' ' A' ' 108' ' ' THR . . . -46.47 -63.42 3.07 Favored Glycine 0 C--N 1.332 0.356 0 O-C-N 123.915 0.76 . . . . 1.49 114.295 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.2 m -78.95 98.44 6.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.202 0.525 . . . . 2.51 110.448 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.72 127.21 43.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.51 -0.768 . . . . 1.45 109.81 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 145.75 99.03 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.03 -0.532 . . . . 2.07 109.992 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -36.1 -47.65 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.463 2.775 . . . . 1.57 113.916 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.25 -29.71 66.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.045 0.45 . . . . 2.43 111.288 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -43.62 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.16 0.505 . . . . 2.37 109.941 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.04 -38.72 82.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.444 -0.798 . . . . 3.31 111.355 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 p -61.24 -48.03 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.149 0.5 . . . . 1.74 110.724 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -66.01 -35.44 80.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 2.79 110.977 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.16 -42.4 69.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 1.31 110.586 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -64.72 -34.94 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.86 111.042 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.85 -47.89 56.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 3.33 110.824 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.4 -40.24 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 1.2 111.762 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.662 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -55.87 -53.76 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.647 0.26 . . . . 1.25 111.231 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.93 -29.78 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 2.62 110.994 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.25 -45.54 59.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 2.66 110.383 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.1 -21.74 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 1.18 111.98 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 54.9 mtp180 -59.46 -17.29 29.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.702 0.26 . . . . 4.33 111.702 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.84 -18.03 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 3.62 111.394 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -119.89 27.25 8.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.933 0.397 . . . . 3.63 110.309 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.4 t30 66.67 57.33 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.277 -0.874 . . . . 2.49 111.303 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.475 HG22 ' CG1' ' A' ' 76' ' ' VAL . 43.6 t -120.73 113.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 1.56 109.742 175.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -114.84 153.63 30.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.667 -0.242 . . . . 4.67 110.499 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t -117.3 126.03 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.711 0.291 . . . . 2.17 111.04 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -120.31 157.83 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 3.48 110.666 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.555 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 2.6 p -104.98 139.4 39.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.098 -0.501 . . . . 1.4 111.161 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -116.41 133.19 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.019 0.438 . . . . 2.18 110.961 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t -116.73 -19.0 10.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 1.97 111.234 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.4 p -156.85 157.01 30.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.494 -0.321 . . . . 1.95 110.365 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.59 -19.46 67.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.183 . . . . 1.29 111.172 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.25 -54.98 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.702 -0.681 . . . . 2.48 109.816 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 28.7 mm-40 -65.73 -33.75 76.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 2.7 110.734 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -54.1 -49.61 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.267 . . . . 1.32 111.477 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -74.8 -13.33 60.57 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 2.84 111.04 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.533 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 45.8 ttt180 -64.91 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 4.3 110.999 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.574 ' CZ2' ' HG ' ' A' ' 79' ' ' LEU . 20.2 p-90 -67.65 -27.04 66.53 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.861 -0.336 . . . . 4.07 111.065 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 115' ' ' ALA . 72.2 mt -61.11 -49.93 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.059 0.457 . . . . 1.44 110.487 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.21 -33.89 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 3.15 110.365 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -69.78 -48.76 58.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 2.57 110.617 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 118' ' ' TRP . 7.5 t80 -60.12 -27.24 66.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.282 -0.872 . . . . 3.77 111.039 -176.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -73.09 -14.99 61.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.879 -0.6 . . . . 1.87 111.16 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -105.12 -41.11 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.269 . . . . 4.14 111.343 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 6.29 110.915 -179.822 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.765 0.317 . . . . 3.54 110.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -64.66 139.86 58.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.656 -0.498 . . . . 3.78 109.656 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HB2' HD23 ' A' ' 47' ' ' LEU . 72.1 mt -117.85 115.4 24.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.202 0.525 . . . . 2.32 110.816 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 62.6 t -107.92 134.53 49.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 1.2 109.188 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -125.97 110.43 23.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.826 0.346 . . . . 1.16 110.723 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.4 mt -106.62 124.67 49.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.671 -0.492 . . . . 1.92 109.671 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.19 139.91 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.096 -0.502 . . . . 1.93 111.319 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -89.44 152.68 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.057 -0.72 . . . . 1.75 109.057 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 p -59.44 114.85 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 3.47 112.773 -171.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -131.7 -170.65 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.134 -1.432 . . . . 5.35 107.134 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -40.33 130.11 2.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 2.29 110.907 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HZ1' ' HB3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -58.65 -29.14 66.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.303 -0.862 . . . . 4.11 112.654 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.6 tttm -75.32 -32.76 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.707 -0.479 . . . . 3.66 109.707 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 115' ' ' ALA . 62.1 tp -64.58 -41.74 96.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 1.98 110.686 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -39.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.136 0.493 . . . . 1.68 109.775 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 50.5 mt-10 -67.22 -46.3 74.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.401 175.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 70.8 mm-40 -57.91 -43.67 86.34 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.491 -0.322 . . . . 2.53 111.181 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.63 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.23 110.872 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -69.28 -34.42 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 3.24 110.86 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.9 mmtm -60.31 -41.78 94.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.179 0.514 . . . . 2.95 110.301 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.5 mmm -70.77 -40.2 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.689 . . . . 3.09 110.127 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -62.22 -53.58 53.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 1.39 111.445 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.01 -26.56 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 2.57 111.191 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HB2' ' HZ2' ' A' ' 44' ' ' LYS . 4.0 ttmp? -77.57 -42.37 35.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.177 -0.465 . . . . 3.4 111.038 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.72 13.23 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.953 0.406 . . . . 1.28 111.275 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 58.88 45.58 15.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.588 -0.733 . . . . 2.82 111.87 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 23' ' ' LEU . 18.1 mt -98.77 153.94 18.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.807 -0.633 . . . . 1.77 109.528 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.09 98.64 11.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.809 -0.441 . . . . 2.13 109.809 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.1 tm? -92.56 114.76 27.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.012 -0.366 . . . . 2.03 110.012 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 69.6 mt -125.26 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.076 -0.511 . . . . 1.95 109.964 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -113.67 105.56 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.565 -0.289 . . . . 1.86 110.366 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.65 82.24 48.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 2.44 110.011 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.07 103.69 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.691 2.261 . . . . 3.15 114.127 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.19 -52.88 0.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.128 -1.51 . . . . 2.89 110.114 155.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.54 ' H ' ' CG ' ' A' ' 58' ' ' GLU . 19.1 m -120.38 168.61 10.17 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.073 -1.084 . . . . 1.96 108.073 163.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.8 -39.63 70.83 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 121.171 1.247 . . . . 1.5 112.032 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' OE1' ' HB3' ' A' ' 55' ' ' SER . 1.3 mp0 -69.13 -19.88 64.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.811 0.301 . . . . 2.7 111.811 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.54 ' CG ' ' H ' ' A' ' 55' ' ' SER . 17.6 mm-40 -60.94 -40.36 92.97 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.046 0.451 . . . . 2.3 110.271 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.45 80.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 1.43 110.16 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 49.8 mt -69.8 -39.62 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 1.65 111.477 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -67.27 -41.44 85.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.836 0.35 . . . . 3.82 110.107 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -38.58 88.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.81 -0.811 . . . . 1.82 108.81 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -58.47 -49.34 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.194 -0.912 . . . . 1.23 111.344 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.72 -37.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 2.65 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.76 -45.67 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.187 -0.46 . . . . 2.21 110.462 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.82 -39.74 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 1.23 110.53 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.28 111.376 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.91 -29.31 19.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 2.46 110.689 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -91.37 -22.8 20.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.972 -0.558 . . . . 2.89 112.304 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 118.81 69.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.563 0.221 . . . . 1.43 110.751 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -84.28 108.02 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.275 1.983 . . . . 1.67 112.023 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.72 -173.13 21.35 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.813 -0.63 . . . . 0.91 111.734 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.4 118.49 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.359 2.039 . . . . 1.19 111.254 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.92 123.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.99 0.424 . . . . 2.13 110.592 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -108.11 131.06 55.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.429 -0.582 . . . . 3.02 109.429 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 16.8 t -105.33 125.41 60.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.999 0.428 . . . . 1.87 110.459 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 115.56 30.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.173 -0.677 . . . . 1.91 109.173 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 62.4 t -104.03 115.51 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.902 0.382 . . . . 1.67 110.499 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 79' ' ' LEU . 3.2 mm? -90.18 106.34 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.063 -0.517 . . . . 2.09 110.31 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.19 126.19 38.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.008 -0.738 . . . . 2.06 109.008 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.4 t -67.09 155.5 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.663 -0.244 . . . . 2.46 110.951 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.91 9.01 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.892 -0.594 . . . . 1.49 114.153 -172.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 p -84.01 97.59 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.217 0.532 . . . . 2.51 111.548 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . -102.76 146.59 28.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.45 109.923 173.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 30.6 m-20 -83.99 152.92 63.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.93 -0.396 . . . . 2.07 109.93 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -44.93 -51.31 7.64 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.734 2.956 . . . . 1.57 113.861 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.88 -44.5 63.67 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.902 -0.319 . . . . 2.43 110.69 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.77 -34.25 69.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 2.37 111.345 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 84' ' ' ALA . 62.4 mttm -56.26 -50.39 71.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.108 0.48 . . . . 3.31 110.632 175.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -75.17 -35.55 61.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 1.74 111.108 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HE2' ' OE2' ' A' ' 57' ' ' GLU . 56.6 mtpt -65.21 -38.23 89.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 2.79 110.851 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.12 -29.8 67.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.993 0.425 . . . . 1.31 110.043 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -66.29 -51.1 60.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.861 -0.608 . . . . 2.86 110.455 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -59.58 -39.62 84.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.308 -0.405 . . . . 3.33 110.908 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.85 87.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 1.2 110.812 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.79 92.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.999 -0.546 . . . . 1.25 111.271 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.7 -39.54 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 2.62 111.003 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.25 -42.48 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 2.66 110.229 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.51 -13.21 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.614 . . . . 1.18 111.827 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -60.06 -39.88 87.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.565 -0.288 . . . . 4.33 111.195 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -75.64 -3.83 36.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.166 0.508 . . . . 3.62 110.762 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -103.12 13.02 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.766 -0.652 . . . . 3.63 109.885 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.4 t30 62.68 39.71 10.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.87 0.843 . . . . 2.49 110.512 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.64 134.0 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 1.56 109.757 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -126.74 134.99 50.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.457 -0.338 . . . . 4.67 110.687 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.28 139.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.191 0.519 . . . . 2.17 110.661 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -137.44 111.57 8.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.586 -0.734 . . . . 3.48 109.268 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 m -77.37 135.53 38.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.801 0.334 . . . . 1.4 110.375 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.9 t -123.71 110.63 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.696 -0.684 . . . . 2.18 110.294 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.3 t -104.96 -15.13 15.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.34 0.591 . . . . 1.97 109.696 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m -135.18 130.53 19.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 1.95 109.996 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.15 -29.51 16.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.987 3.125 . . . . 1.29 114.457 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.91 -25.38 65.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.749 -0.205 . . . . 2.48 111.148 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.8 -57.2 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.683 0.278 . . . . 2.7 110.703 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.475 ' HB3' HD13 ' A' ' 34' ' ' LEU . . . -56.1 -50.65 70.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.32 111.577 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.58 -32.75 71.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 2.84 110.744 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -76.21 -49.99 15.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.723 -0.671 . . . . 4.3 110.824 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -64.37 -46.61 82.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 4.07 111.572 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.88 -39.92 59.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 1.44 110.731 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.9 tttm -64.46 -46.09 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.506 -0.315 . . . . 3.15 110.433 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -38.4 91.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.605 0.241 . . . . 2.57 110.864 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -69.06 -26.04 64.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 3.77 110.712 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.5 m -83.25 -11.01 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 1.87 110.521 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 81.7 mm-40 -87.11 -6.98 58.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 4.14 110.249 177.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.652 -0.689 . . . . 6.29 110.582 -179.182 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.987 -0.375 . . . . 3.54 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -101.89 97.25 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.566 0.698 . . . . 3.78 110.801 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -91.37 120.31 32.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.87 . . . . 2.32 109.198 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 34.4 t -111.49 120.61 62.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.821 -0.437 . . . . 1.2 109.821 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.8 t -123.33 113.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.949 0.404 . . . . 1.16 110.728 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.7 mp -107.22 120.98 43.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.336 -0.616 . . . . 1.92 109.336 174.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 79' ' ' LEU . 2.6 pp -110.35 144.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.148 -0.621 . . . . 1.93 110.83 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 25.3 t -88.87 137.25 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.119 -0.946 . . . . 1.75 109.412 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -64.39 166.3 8.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.159 1.17 . . . . 3.47 114.159 -170.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB2' HG22 ' A' ' 81' ' ' THR . 5.8 t-20 179.42 -168.81 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.245 -1.798 . . . . 5.35 106.491 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -38.06 133.16 0.93 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.401 0.438 . . . . 2.29 110.731 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -61.45 -18.1 57.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.034 0.753 . . . . 4.11 113.034 -170.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.71 -39.08 90.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.068 0.461 . . . . 3.66 109.982 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.68 -49.59 62.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.396 -0.82 . . . . 1.98 110.331 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.44 -50.81 70.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.296 -0.865 . . . . 1.68 111.255 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 46.8 mm-40 -61.14 -52.05 66.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.616 . . . . 2.42 111.254 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 41' ' ' MET . 13.9 tp10 -65.26 -39.04 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.546 -0.297 . . . . 2.53 111.395 -172.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.47 97.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.49 . . . . 1.23 110.677 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -68.16 -32.84 73.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 3.24 110.555 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 84.1 mttt -63.27 -35.79 81.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.052 -0.522 . . . . 2.95 110.593 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 42.7 mtt -72.25 -29.13 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.884 -0.598 . . . . 3.09 110.565 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.24 66.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.898 -0.592 . . . . 1.39 111.35 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.71 -21.32 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 2.57 111.146 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -79.71 -44.31 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 3.4 110.933 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.88 5.06 47.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.955 -0.566 . . . . 1.28 111.546 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 60.1 38.35 20.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.636 -0.711 . . . . 2.82 111.751 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.39 153.99 32.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.77 110.334 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -92.68 105.79 17.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.126 -0.488 . . . . 2.13 109.784 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.567 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.57 134.1 52.32 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.14 0.495 . . . . 2.03 110.781 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.413 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 4.2 mp -116.52 126.79 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.754 . . . . 1.95 109.626 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -87.33 106.97 18.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.11 0.481 . . . . 1.86 110.892 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -104.35 145.34 30.49 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.587 . . . . 2.44 111.361 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -37.18 163.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.591 3.527 . . . . 3.15 115.509 165.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.71 12.41 1.04 Allowed Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 112.754 -2.021 . . . . 2.89 114.569 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -110.32 118.63 48.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 1.96 110.789 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.64 -27.55 81.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.006 2.471 . . . . 1.5 111.996 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.68 -54.28 19.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.705 -0.68 . . . . 2.7 110.561 171.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.15 -44.28 84.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.3 110.425 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.99 -60.98 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.883 0.697 . . . . 1.43 112.883 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.31 -31.74 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 1.65 111.274 -171.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -68.01 -41.36 82.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.126 -0.488 . . . . 3.82 109.712 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.8 tp -71.33 -30.75 66.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 1.82 110.191 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.68 91.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.928 -0.578 . . . . 1.23 110.767 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -67.24 -37.5 83.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.521 . . . . 2.65 110.637 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.69 -57.22 13.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.788 -0.642 . . . . 2.21 110.6 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.71 -34.73 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 1.23 110.79 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.15 97.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.069 0.462 . . . . 1.28 111.724 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.68 -37.71 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 2.46 110.761 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -89.08 1.69 55.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 2.89 112.107 -172.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.93 123.05 68.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.548 0.213 . . . . 1.43 110.95 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.12 108.78 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.171 1.914 . . . . 1.67 112.318 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' HG23 ' A' ' 74' ' ' VAL . . . 133.9 -170.85 22.31 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.045 -0.598 . . . . 0.91 111.816 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.67 117.95 5.24 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.176 1.917 . . . . 1.19 110.384 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 72' ' ' GLY . 79.1 t -113.41 126.56 70.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.179 0.514 . . . . 2.13 111.747 -171.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 22.7 tptm -133.89 117.53 16.89 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.378 -0.971 . . . . 3.02 108.378 173.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' A' ' 104' ' ' VAL . 14.1 t -113.99 147.62 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.12 0.486 . . . . 1.87 111.512 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.05 124.16 17.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.694 -0.854 . . . . 1.91 108.694 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 13.5 p -114.59 128.56 71.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.458 0.647 . . . . 1.67 110.168 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' HB2' HG21 ' A' ' 27' ' ' ILE . 2.8 mm? -107.69 99.53 9.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.323 -0.853 . . . . 2.09 110.827 -171.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.478 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 1.6 tt -81.66 124.47 39.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.435 -0.579 . . . . 2.06 109.435 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 30' ' ' ASN . 61.0 m -108.51 124.21 50.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.061 -0.518 . . . . 2.46 111.04 -170.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.59 15.86 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.988 -0.625 . . . . 1.49 111.955 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -110.09 135.75 50.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.895 -0.409 . . . . 2.51 109.895 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.92 115.5 21.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 1.45 111.151 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -69.98 152.16 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 2.07 109.877 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -41.54 -49.68 5.05 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.686 2.924 . . . . 1.57 114.296 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.589 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 5.4 m-20 -60.17 -54.91 40.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 2.43 110.745 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 91' ' ' LYS . 13.5 mm-40 -69.81 -26.74 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.094 -0.503 . . . . 2.37 111.398 -176.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -63.57 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.513 0.673 . . . . 3.31 109.223 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 m -75.35 -33.62 61.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 1.74 110.355 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 33.2 mmtp -62.87 -45.1 94.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.992 -0.549 . . . . 2.79 109.957 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.52 75.21 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.119 -0.946 . . . . 1.31 110.857 -171.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -35.15 80.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 2.86 111.257 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -75.44 -53.66 8.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.021 -0.536 . . . . 3.33 110.573 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.0 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 1.2 111.069 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -60.48 -39.7 88.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 1.25 110.992 178.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.51 -41.13 84.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.769 -0.65 . . . . 2.62 110.575 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.49 -39.92 67.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 2.66 110.41 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.94 -12.19 60.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 1.18 112.151 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 38.9 mtp180 -55.44 -26.76 43.92 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.739 0.274 . . . . 4.33 111.739 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.22 -33.1 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 3.62 110.963 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -102.77 9.2 39.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 3.63 110.738 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER 64.62 36.94 8.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.544 -0.753 . . . . 2.49 111.347 178.258 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.461 HG21 ' HB ' ' A' ' 76' ' ' VAL . 39.8 t -82.16 107.25 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 1.56 109.987 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -92.5 143.69 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 4.67 111.091 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.418 HG22 ' CG1' ' A' ' 78' ' ' VAL . 47.4 t -110.69 123.75 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.56 . . . . 2.17 110.217 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -128.37 145.66 51.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.848 0.356 . . . . 3.48 110.628 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 m -100.52 133.65 44.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.051 -0.522 . . . . 1.4 111.011 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.86 110.4 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.15 -0.477 . . . . 2.18 110.052 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m -99.86 -27.6 13.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.349 0.595 . . . . 1.97 109.975 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.1 p -135.95 142.4 40.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.27 -0.641 . . . . 1.95 109.27 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.92 -18.81 36.84 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.199 2.599 . . . . 1.29 113.856 -172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.44 -20.93 61.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 2.48 110.625 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.63 -37.67 62.74 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.969 -0.382 . . . . 2.7 109.969 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.89 69.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 1.32 110.677 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -59.3 -32.64 70.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 2.84 110.411 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -73.08 -59.2 2.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 4.3 111.156 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -66.52 -33.19 75.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.479 0.548 . . . . 4.07 112.479 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.82 -46.55 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.808 -0.357 . . . . 1.44 110.487 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HA ' ' OG ' ' A' ' 123' ' ' SER . 63.8 mttp -70.86 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 3.15 110.998 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.72 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 2.57 109.791 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 93.4 t80 -78.87 -36.03 42.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.009 -0.996 . . . . 3.77 110.983 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 120' ' ' LYS . 25.4 p -81.2 -54.74 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.87 111.538 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -145.61 -80.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.778 -0.192 . . . . 4.14 110.659 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.244 0.8 0 CA-C-O 118.668 -0.682 . . . . 6.29 110.789 -179.513 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.933 0.397 . . . . 3.54 110.055 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 10.4 mmm180 -116.61 98.31 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.47 -0.332 . . . . 3.78 111.046 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.86 100.22 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 2.32 109.555 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -106.27 132.9 52.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.968 -0.56 . . . . 1.2 111.476 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 110.56 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 1.16 109.913 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD21 ' HB ' ' A' ' 50' ' ' ILE . 19.8 mt -106.59 113.2 26.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.916 -0.584 . . . . 1.92 109.978 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.6 tt -116.64 133.5 63.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.43 0.633 . . . . 1.93 111.989 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 80' ' ' ILE . 2.7 p -124.58 103.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.243 -0.89 . . . . 1.75 109.037 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.52 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 59.1 m -145.76 -178.82 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.248 0.462 . . . . 3.47 112.248 -174.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -78.21 -170.84 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.226 -0.897 . . . . 5.35 111.189 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -8.89 128.3 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.023 1.729 . . . . 2.29 114.911 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 57.9 mtpt -60.7 -14.78 23.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.741 -1.118 . . . . 4.11 113.529 -171.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -53.28 -44.37 68.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.071 0.462 . . . . 3.66 110.54 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -41.38 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.603 -0.726 . . . . 1.98 110.748 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 64.8 mt -65.13 -47.44 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 1.68 111.275 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 mm-40 -58.26 -43.65 88.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 2.42 110.556 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.96 -42.71 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.241 -0.436 . . . . 2.53 110.294 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.5 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 1.23 110.834 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 67.1 mtp180 -63.61 -36.48 83.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 3.24 110.753 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.676 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 75.7 mmtt -63.06 -31.84 73.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 2.95 110.446 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.4 mmt -76.12 -37.44 58.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 3.09 109.669 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.16 72.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 1.39 111.441 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -62.35 -27.17 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 2.57 111.027 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -69.54 -60.27 2.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.215 -0.448 . . . . 3.4 111.255 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.84 16.68 15.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 1.28 111.711 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.39 58.6 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.282 -0.872 . . . . 2.82 111.959 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.87 137.27 41.29 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.283 -1.006 . . . . 1.77 108.283 170.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 12.2 tt0 -81.39 97.97 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.213 0.53 . . . . 2.13 109.747 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 116.64 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.318 -0.856 . . . . 2.03 109.737 -176.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.429 ' HB ' HD21 ' A' ' 26' ' ' LEU . 36.2 mm -126.19 131.29 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 1.95 109.704 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 p -85.59 130.29 34.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.209 -0.451 . . . . 1.86 111.301 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 53' ' ' PRO . 66.9 t -105.06 143.15 26.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.755 -0.657 . . . . 2.44 111.016 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.607 ' O ' HG12 ' A' ' 52' ' ' VAL . 9.2 Cg_endo -53.44 161.61 3.9 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.019 2.479 . . . . 3.15 111.951 168.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.18 12.79 0.41 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.334 0.894 . . . . 2.89 115.334 -170.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -108.99 118.47 51.36 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 117.46 0.63 . . . . 1.96 110.423 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.443 ' HD2' ' OE1' ' A' ' 88' ' ' GLU . 46.2 Cg_exo -58.26 -26.42 76.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.011 2.474 . . . . 1.5 112.372 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.492 -0.776 . . . . 2.7 110.479 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.8 tp10 -67.84 -36.7 80.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.459 -177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.8 86.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.43 111.203 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.421 HG21 ' HB2' ' A' ' 95' ' ' ALA . 50.0 mm -72.08 -39.89 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.082 -0.508 . . . . 1.65 111.029 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 61' ' ' ARG . 56.2 mtt180 -73.13 -27.15 61.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.45 -0.341 . . . . 3.82 111.496 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -67.59 -40.94 84.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.709 -0.849 . . . . 1.82 108.709 173.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.67 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.47 -0.786 . . . . 1.23 110.406 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.712 . . . . 2.65 110.569 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.7 -55.57 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 2.21 110.605 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.84 -35.97 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 1.23 111.276 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 74' ' ' VAL . . . -60.6 -36.01 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.332 . . . . 1.28 111.843 -178.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.1 -22.59 20.64 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.835 -0.346 . . . . 2.46 111.725 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -83.22 -29.07 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.704 0.288 . . . . 2.89 111.361 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 22' ' ' ARG . . . -80.76 122.38 82.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.521 -0.309 . . . . 1.43 111.296 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.02 108.79 1.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.296 1.998 . . . . 1.67 112.038 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.11 -155.98 18.86 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.91 112.234 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.56 119.83 6.73 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.827 2.351 . . . . 1.19 111.672 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 67' ' ' ALA . 4.9 t -118.71 137.18 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.825 0.345 . . . . 2.13 110.407 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -141.75 117.16 10.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.903 -0.777 . . . . 3.02 108.903 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.8 t -119.07 140.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.295 0.569 . . . . 1.87 111.664 -174.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 tp -123.41 124.86 43.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 1.91 109.402 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.8 m -105.99 129.03 59.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.217 0.532 . . . . 1.67 110.523 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.17 100.01 9.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.748 -0.66 . . . . 2.09 110.326 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' HA ' HG13 ' A' ' 28' ' ' VAL . 37.2 pt -94.4 133.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.826 -0.435 . . . . 2.06 109.826 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.52 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 5.5 t -92.05 152.2 20.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.037 0.446 . . . . 2.46 111.647 -175.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.38 -146.65 50.48 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.462 -0.79 . . . . 1.49 112.803 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -109.93 143.31 40.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.546 -0.539 . . . . 2.51 109.546 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 125.12 28.5 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.54 -0.541 . . . . 1.45 109.54 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.08 156.5 10.27 Favored Pre-proline 0 C--O 1.222 -0.381 0 CA-C-N 115.943 -0.571 . . . . 2.07 110.166 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -37.27 -50.88 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.674 2.916 . . . . 1.57 114.203 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -71.79 -45.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 2.43 110.795 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' A' ' 56' ' ' PRO . 8.3 mm-40 -63.2 -30.44 71.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.781 -0.645 . . . . 2.37 111.014 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.63 -52.42 60.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 3.31 111.256 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -73.7 -26.11 60.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.038 0.447 . . . . 1.74 110.145 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -69.14 -50.23 49.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 2.79 110.437 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.72 -20.77 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 1.31 110.473 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.75 -48.21 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 2.86 109.825 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.5 -39.88 88.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 3.33 110.348 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 60' ' ' ILE . . . -66.5 -34.68 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 1.2 111.042 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.87 90.3 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.14 -0.482 . . . . 1.25 111.609 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -73.03 -23.36 60.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 2.62 110.961 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.691 ' O ' ' HE3' ' A' ' 101' ' ' LYS . 8.7 tp10 -71.28 -54.88 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.612 -0.514 . . . . 2.66 109.612 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.82 -13.99 62.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.186 0.517 . . . . 1.18 111.262 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.87 -26.13 65.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 4.33 110.761 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.691 ' HE3' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.6 -23.19 65.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.463 -0.335 . . . . 3.62 111.6 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -112.78 24.54 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 3.63 111.249 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.404 HD21 ' HA ' ' A' ' 103' ' ' ASN . 10.2 m120 60.36 37.36 20.18 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.939 -0.573 . . . . 2.49 111.91 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 40.1 t -93.86 109.65 22.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.635 -0.506 . . . . 1.56 109.635 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -92.4 134.72 34.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 4.67 110.807 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.69 129.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 2.17 110.16 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.0 tpm_? -137.11 155.82 49.14 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.865 -0.42 . . . . 3.48 109.865 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 26.2 m -116.28 135.6 53.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 1.4 111.122 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.14 118.47 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 2.18 110.716 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -118.77 -7.55 10.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.853 0.358 . . . . 1.97 110.875 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.1 p -153.06 148.5 20.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 1.95 110.78 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -45.7 -45.62 16.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.119 2.546 . . . . 1.29 113.572 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.22 -42.22 51.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.883 -0.599 . . . . 2.48 112.104 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.2 -55.34 29.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.126 -0.488 . . . . 2.7 110.568 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.75 70.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.39 . . . . 1.32 110.856 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -57.9 -47.74 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.689 -0.687 . . . . 2.84 111.503 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -78.74 -27.94 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.884 -0.326 . . . . 4.3 111.491 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -69.43 -40.16 77.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.788 0.328 . . . . 4.07 110.264 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -36.1 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.135 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -58.17 -55.53 33.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 3.15 111.311 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.96 -33.46 74.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.703 0.287 . . . . 2.57 111.109 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -66.43 -38.86 88.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.77 110.561 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -75.17 -53.86 8.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 1.87 110.364 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 53.2 58.45 5.26 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.578 0.704 . . . . 4.14 109.69 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.289 -0.863 . . . . 6.29 109.989 -176.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.454 ' SD ' ' HE3' ' A' ' 75' ' ' LYS . 52.7 tpp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.081 -0.34 . . . . 3.54 110.081 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 4.3 mmp_? -100.61 102.71 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 3.78 111.153 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.49 113.1 25.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.532 -0.544 . . . . 2.32 109.532 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 t -116.4 135.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.749 -0.66 . . . . 1.2 110.186 -176.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 42.4 t -132.03 119.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.982 -0.377 . . . . 1.16 109.982 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 5.3 mp -105.42 116.02 31.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.818 -0.808 . . . . 1.92 108.818 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.43 126.59 56.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.775 -0.648 . . . . 1.93 109.843 -173.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.08 97.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.48 -1.304 . . . . 1.75 107.48 170.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -116.01 141.69 47.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.72 0.771 . . . . 3.47 112.766 -165.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -78.44 -170.12 1.93 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.071 -1.422 . . . . 5.35 108.242 164.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t0 -8.01 126.37 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.996 1.435 . . . . 2.29 114.274 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.25 -13.71 5.67 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.527 0.936 . . . . 4.11 113.527 -170.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 31' ' ' ASP . 49.1 mttp -56.36 -32.23 64.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.073 0.463 . . . . 3.66 110.381 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 tp -76.73 -45.1 30.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.399 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.6 -46.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.648 -0.706 . . . . 1.68 110.513 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 52.6 mm-40 -52.32 -62.53 1.58 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 2.42 111.426 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -56.14 -42.52 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 2.53 111.39 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.7 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.23 111.153 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -71.74 -32.09 67.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 3.24 110.883 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.3 mmtm -56.5 -50.66 71.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.056 -0.52 . . . . 2.95 111.036 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.6 mmt -74.52 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 3.09 111.272 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.5 75.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 1.39 110.891 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.9 -37.23 83.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.987 0.422 . . . . 2.57 110.322 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.06 -30.71 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 3.4 111.328 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.48 11.44 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 1.28 111.434 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 61.68 51.85 3.79 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.753 0.787 . . . . 2.82 110.642 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD12 ' OG ' ' A' ' 123' ' ' SER . 27.4 mt -115.47 156.21 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.574 -0.739 . . . . 1.77 109.197 175.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -101.03 100.03 10.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.031 -0.359 . . . . 2.13 110.031 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.6 tt -108.58 127.67 54.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 2.03 110.367 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 63.0 mt -122.22 137.84 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.355 -0.839 . . . . 1.95 109.857 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 m -109.82 100.83 9.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.583 0.23 . . . . 1.86 110.698 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 50' ' ' ILE . 58.5 t -126.8 82.06 68.08 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 2.44 110.601 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -90.23 104.14 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.483 2.122 . . . . 3.15 113.365 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.42 -51.04 0.2 Allowed Glycine 0 CA--C 1.506 -0.504 0 C-N-CA 119.296 -1.43 . . . . 2.89 109.723 160.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -119.22 158.26 48.93 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.917 -1.142 . . . . 1.96 107.917 157.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' O ' HG12 ' A' ' 60' ' ' ILE . 68.7 Cg_exo -56.69 -40.99 80.47 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 121.206 1.27 . . . . 1.5 110.553 168.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.92 -30.07 71.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.157 -0.929 . . . . 2.7 111.788 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.96 -44.7 94.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.947 0.404 . . . . 2.3 110.933 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.25 74.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 1.43 110.651 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 56' ' ' PRO . 13.3 mm -64.66 -41.41 92.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.122 0.487 . . . . 1.65 110.294 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -74.49 -30.69 61.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 3.82 110.599 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.0 tp -73.05 -30.3 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 1.82 110.196 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.44 74.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 1.23 110.576 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -63.02 -39.18 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.387 -0.824 . . . . 2.65 110.762 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 12.9 mm-40 -69.73 -48.97 57.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 2.21 110.718 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 26' ' ' LEU . 72.1 mt -61.19 -38.99 80.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 1.23 111.099 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.3 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 1.28 111.28 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.24 -46.23 56.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.216 0.531 . . . . 2.46 110.694 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 14.6 mmmm -77.02 -17.43 58.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.621 . . . . 2.89 111.955 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.49 120.41 76.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.21 -0.292 . . . . 1.43 110.21 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.51 108.08 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.137 1.891 . . . . 1.67 112.236 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.52 -167.27 23.95 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.888 -0.673 . . . . 0.91 111.934 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.5 119.27 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.503 2.135 . . . . 1.19 111.397 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.62 137.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.264 -0.426 . . . . 2.13 110.961 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HE3' ' SD ' ' A' ' 21' ' ' MET . 90.3 mttt -127.83 113.86 16.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.494 -0.928 . . . . 3.02 108.494 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 10.5 t -114.51 135.31 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.216 0.531 . . . . 1.87 111.497 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 20.5 mt -115.76 142.55 46.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.965 -0.561 . . . . 1.91 109.726 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG12 ' HB2' ' A' ' 26' ' ' LEU . 2.7 m -128.09 118.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.918 -0.583 . . . . 1.67 109.64 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.5 mt -109.41 124.44 51.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.617 -0.72 . . . . 2.09 110.469 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.1 pt -104.12 145.29 13.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.415 -0.587 . . . . 2.06 109.415 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 32.1 p -114.35 151.56 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.025 0.441 . . . . 2.46 112.016 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.13 -156.66 50.47 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.687 -0.688 . . . . 1.49 111.924 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -100.62 105.49 16.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.921 0.391 . . . . 2.51 110.554 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.29 120.64 16.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 1.45 109.716 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.34 158.5 56.74 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.455 . . . . 2.07 110.47 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -46.21 11.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.855 2.37 . . . . 1.57 112.846 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 5.7 m-20 -60.83 -35.99 77.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 2.43 111.249 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.511 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 50.7 mt-10 -81.12 -43.58 19.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.082 -0.508 . . . . 2.37 110.515 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.24 -40.73 95.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.496 -0.774 . . . . 3.31 111.192 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -62.15 -48.52 79.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 1.74 110.941 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 95.5 mttt -59.94 -41.5 91.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 2.79 110.69 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.12 70.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.927 -0.578 . . . . 1.31 110.718 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.74 -41.43 78.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 2.86 110.59 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -68.38 -44.8 74.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 3.33 110.38 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.16 80.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.353 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -61.15 -30.64 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 1.25 111.254 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.96 -48.78 28.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 2.62 110.387 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.61 -39.33 84.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 2.66 110.699 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' O ' HG11 ' A' ' 104' ' ' VAL . . . -79.39 -13.57 59.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.046 -0.525 . . . . 1.18 111.989 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 51.5 ttm-85 -55.92 -28.62 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 4.33 110.552 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.63 -18.3 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.681 -0.691 . . . . 3.62 111.11 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -96.98 8.2 44.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 3.63 110.938 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.4 t30 66.69 34.96 5.43 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.519 -0.764 . . . . 2.49 111.01 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 8.8 p -105.46 139.22 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 1.56 109.76 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.8 131.59 49.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 4.67 110.673 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 78' ' ' VAL . 21.6 t -96.0 124.17 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 2.17 110.86 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.62 143.03 50.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.576 -0.528 . . . . 3.48 109.576 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 m -99.37 125.71 45.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.787 0.327 . . . . 1.4 110.509 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 81' ' ' THR . 31.5 m -123.87 145.63 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 2.18 110.298 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -118.3 -36.47 3.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 1.97 111.108 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -116.03 150.81 45.73 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.068 -0.515 . . . . 1.95 110.467 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.28 -32.48 88.19 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.26 2.64 . . . . 1.29 113.12 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.78 -36.03 77.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.975 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.26 -53.43 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 2.7 110.497 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.0 88.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 1.32 110.832 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.35 -36.07 79.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.595 . . . . 2.84 110.498 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -65.81 -50.26 65.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.651 . . . . 4.3 110.701 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -61.25 -44.68 96.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 4.07 111.206 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.64 -52.31 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.325 . . . . 1.44 111.441 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -62.71 -39.79 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 3.15 110.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.17 -47.24 80.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 2.57 110.326 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.75 -24.85 67.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 3.77 111.52 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.53 ' OG ' HD12 ' A' ' 47' ' ' LEU . 50.2 m -59.7 -36.55 76.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.183 -0.462 . . . . 1.87 111.875 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 70.16 -59.52 0.51 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.474 0.709 . . . . 4.14 111.819 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.976 -0.535 . . . . 6.29 110.639 -177.61 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.838 0.351 . . . . 3.54 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HB3' HG11 ' A' ' 74' ' ' VAL . 0.9 OUTLIER -113.32 96.42 5.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.389 0.614 . . . . 3.78 110.995 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB2' HD23 ' A' ' 47' ' ' LEU . 85.5 mt -108.94 115.29 29.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.475 -0.784 . . . . 2.32 109.071 174.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.47 133.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.778 -0.646 . . . . 1.2 110.423 -174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 9.2 t -124.75 109.96 23.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.16 110.543 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.1 121.6 45.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.1 -0.5 . . . . 1.92 109.776 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.1 tt -125.52 145.77 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 1.93 110.925 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.95 151.77 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 1.75 109.856 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.401 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 6.0 p -62.43 138.6 58.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.444 0.535 . . . . 3.47 112.444 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -156.7 -172.7 4.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.289 -1.374 . . . . 5.35 107.289 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.59 139.08 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.392 -0.596 . . . . 2.29 109.392 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -62.33 -19.03 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.842 -0.617 . . . . 4.11 112.184 -171.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -60.9 -38.08 84.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.963 0.411 . . . . 3.66 110.268 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.43 -49.19 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.759 -0.655 . . . . 1.98 110.603 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.5 -41.25 91.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.855 -0.611 . . . . 1.68 111.109 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 41.4 mt-10 -60.69 -55.15 36.73 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.121 -0.232 . . . . 2.42 111.139 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.11 -30.56 71.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.317 . . . . 2.53 111.244 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.17 88.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 1.23 110.266 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -64.72 -42.31 95.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 3.24 111.476 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 74.8 mmtt -57.87 -41.07 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.833 0.349 . . . . 2.95 110.448 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.436 ' HG3' ' CB ' ' A' ' 116' ' ' LYS . 86.4 mmm -72.58 -38.8 67.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.907 -0.588 . . . . 3.09 111.087 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -65.74 -58.65 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 1.39 110.884 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.38 -23.31 66.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 2.57 110.97 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -58.16 -43.85 87.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.14 0.495 . . . . 3.4 110.672 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.01 30.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.28 110.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.09 42.58 9.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.468 -0.787 . . . . 2.82 110.884 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -92.41 145.91 24.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.706 -0.85 . . . . 1.77 108.706 176.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.42 99.68 11.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.752 0.787 . . . . 2.13 110.858 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.8 tm? -87.95 116.95 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.707 -1.133 . . . . 2.03 108.791 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.2 mm -129.44 135.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.909 0.385 . . . . 1.95 110.757 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -103.75 100.88 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.472 . . . . 1.86 110.799 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.1 t -121.78 82.33 41.98 Favored Pre-proline 0 N--CA 1.465 0.324 0 C-N-CA 120.488 -0.485 . . . . 2.44 110.901 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HB3' ' H ' ' A' ' 29' ' ' SER . 89.0 Cg_endo -90.84 104.87 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.847 2.365 . . . . 3.15 113.885 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.76 -52.67 0.15 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.705 -1.712 . . . . 2.89 111.372 160.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -121.55 170.76 7.02 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.956 -0.757 . . . . 1.96 108.956 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' ILE . 22.0 Cg_exo -63.09 -48.47 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.238 1.292 . . . . 1.5 110.348 166.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -24.49 67.74 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.809 -0.632 . . . . 2.7 111.639 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -56.72 -51.14 69.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 2.3 110.57 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.03 -32.28 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 1.43 110.956 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 HG13 ' A' ' 78' ' ' VAL . 6.4 mm -70.26 -44.96 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.195 0.522 . . . . 1.65 110.235 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 3.82 110.208 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -43.45 87.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.795 -0.817 . . . . 1.82 108.795 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.19 78.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.33 -0.85 . . . . 1.23 110.834 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -47.73 78.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.528 -0.76 . . . . 2.65 110.019 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 36.2 tt0 -55.56 -52.44 63.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 2.21 111.168 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.46 -44.73 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.539 -0.301 . . . . 1.23 110.985 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.481 -0.327 . . . . 1.28 111.469 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.59 -47.69 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 2.46 110.841 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.8 mmtp -78.77 -10.75 59.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.576 . . . . 2.89 111.447 -174.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.97 128.41 78.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.312 -0.404 . . . . 1.43 111.066 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -75.4 108.83 2.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.754 2.303 . . . . 1.67 112.216 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 -168.32 15.22 Favored Glycine 0 C--N 1.315 -0.597 0 CA-C-N 115.658 -0.701 . . . . 0.91 113.408 171.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.29 119.54 6.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.447 2.765 . . . . 1.19 112.506 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 22' ' ' ARG . 17.6 m -128.74 163.73 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 2.13 110.738 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -147.58 107.7 4.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.013 -0.736 . . . . 3.02 109.013 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -100.53 127.43 53.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.092 0.472 . . . . 1.87 110.833 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 69.3 tp -108.73 117.11 33.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.636 -0.711 . . . . 1.91 109.709 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 HD12 ' A' ' 60' ' ' ILE . 46.3 t -105.83 131.68 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 110.066 -0.346 . . . . 1.67 110.066 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.9 mt -114.26 104.34 11.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 2.09 110.735 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.07 144.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.122 -0.696 . . . . 2.06 109.122 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.0 p -71.19 157.61 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.445 -0.343 . . . . 2.46 111.903 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.98 -52.82 37.1 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.49 113.746 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -94.23 94.84 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.311 0.577 . . . . 2.51 111.365 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.64 17.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.401 -0.818 . . . . 1.45 108.806 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.19 142.48 87.29 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.212 -0.662 . . . . 2.07 109.212 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -38.47 -47.18 2.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.325 2.683 . . . . 1.57 113.74 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.48 -30.98 65.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.482 -0.326 . . . . 2.43 111.044 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 2.37 110.002 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.05 -41.98 99.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 3.31 110.298 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 m -60.15 -48.52 81.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 1.74 110.903 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.07 -41.17 86.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 2.79 111.437 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.39 75.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 1.31 110.763 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.88 -47.31 85.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 2.86 110.796 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.7 -47.71 80.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 3.33 110.415 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.17 -33.39 74.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.562 -0.744 . . . . 1.2 111.309 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.4 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 1.25 111.382 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -84.06 -26.68 28.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.62 110.706 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.84 -51.34 27.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.36 -0.382 . . . . 2.66 110.213 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.52 62.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.826 -0.625 . . . . 1.18 111.021 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -58.2 -27.49 63.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 4.33 111.165 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -61.86 -24.53 66.97 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.996 0.427 . . . . 3.62 111.004 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -100.07 22.19 11.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 3.63 110.445 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 65.79 26.84 11.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.572 -0.74 . . . . 2.49 111.115 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.2 t -93.89 134.36 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.493 . . . . 1.56 110.074 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -130.7 112.55 13.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.423 0.63 . . . . 4.67 110.354 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.41 ' CG2' HD13 ' A' ' 60' ' ' ILE . 23.2 t -88.44 135.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 2.17 110.127 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -130.98 152.77 49.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.107 -0.331 . . . . 3.48 110.107 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -98.27 122.39 41.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 1.4 109.897 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.487 HG12 ' HB1' ' A' ' 115' ' ' ALA . 75.3 t -109.08 118.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.276 -0.42 . . . . 2.18 110.989 -177.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.3 p -93.81 -23.35 18.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 1.97 112.26 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -152.07 152.81 30.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.209 -0.307 . . . . 1.95 111.15 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.56 -37.01 90.47 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.918 2.412 . . . . 1.29 113.157 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 3.3 m-20 -58.44 -46.77 85.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.038 0.446 . . . . 2.48 110.645 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.46 -37.8 87.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 2.7 109.971 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 109' ' ' VAL . . . -58.32 -58.76 7.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 1.32 111.367 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 22.3 pttp -66.01 -22.3 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 2.84 111.508 -176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -66.93 -54.51 21.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.046 -0.354 . . . . 4.3 110.046 175.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -68.21 -32.51 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 4.07 111.475 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.0 mt -61.99 -42.82 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.786 -0.45 . . . . 1.44 109.786 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -59.13 -42.8 91.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.166 -0.47 . . . . 3.15 110.501 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 117' ' ' ARG . 16.8 mm-40 -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.7 -0.682 . . . . 2.57 111.495 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -84.78 -22.85 29.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.317 . . . . 3.77 111.429 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.3 t -71.95 -62.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.275 -0.421 . . . . 1.87 110.902 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -84.19 -53.12 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.258 -0.428 . . . . 4.14 110.331 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.169 -0.919 . . . . 6.29 111.162 179.21 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.4 ttp . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.849 0.357 . . . . 3.54 110.455 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -105.68 127.88 53.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.375 -0.375 . . . . 3.78 110.123 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.59 122.73 48.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.79 -0.448 . . . . 2.32 109.79 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.64 137.55 57.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 1.2 111.638 -172.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 15.4 t -132.03 114.67 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 1.16 110.169 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 66' ' ' ILE . 1.6 mm? -106.34 112.25 25.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.456 -0.942 . . . . 1.92 108.456 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 79' ' ' LEU . 32.2 pt -111.06 146.64 15.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.083 0.468 . . . . 1.93 110.916 -175.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.443 ' HB ' HG21 ' A' ' 81' ' ' THR . 99.4 t -88.36 145.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.945 -0.761 . . . . 1.75 108.945 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -58.8 113.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 3.47 112.632 -171.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.446 ' HB3' HD23 ' A' ' 34' ' ' LEU . 12.0 t-20 -112.67 -170.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.719 -1.128 . . . . 5.35 108.264 174.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' H ' ' CG ' ' A' ' 30' ' ' ASN . 15.5 t70 -45.87 140.47 3.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.111 0.482 . . . . 2.29 111.121 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HZ3' ' HB2' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.71 -27.47 62.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.324 -0.853 . . . . 4.11 112.322 -171.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 2.3 mptm? -63.4 -44.94 93.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 3.66 110.431 176.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 30' ' ' ASN . 50.2 tp -63.69 -42.17 98.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.771 -0.649 . . . . 1.98 110.619 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.434 HG21 HG21 ' A' ' 51' ' ' THR . 46.5 mm -51.7 -43.78 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.68 110.595 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -75.15 -49.2 20.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.621 -0.718 . . . . 2.42 111.277 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 20.8 mm-40 -65.72 -41.36 92.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.692 0.256 . . . . 2.53 111.692 -175.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.16 93.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 1.23 110.695 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 41.3 ttt180 -69.18 -36.35 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 3.24 110.171 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.9 mttt -62.97 -45.38 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 2.95 110.558 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.408 ' HE1' ' HA ' ' A' ' 41' ' ' MET . 31.9 mmt -63.39 -36.9 85.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 3.09 110.053 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.03 94.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 1.39 111.189 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.3 mm-40 -66.33 -33.33 75.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 2.57 111.013 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -72.88 -34.16 66.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.194 -0.457 . . . . 3.4 111.17 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 5.03 44.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 1.28 111.696 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.97 54.98 5.6 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.347 -0.842 . . . . 2.82 110.583 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.12 141.1 40.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.599 . . . . 1.77 109.965 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.33 98.54 8.21 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.072 -0.714 . . . . 2.13 109.072 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.714 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 tt -115.41 120.49 39.75 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.31 -0.556 . . . . 2.03 110.711 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' HB ' HD13 ' A' ' 26' ' ' LEU . 46.6 mm -116.9 138.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.343 -0.844 . . . . 1.95 110.277 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.434 HG21 HG21 ' A' ' 35' ' ' ILE . 29.7 p -90.22 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.28 0.562 . . . . 1.86 110.682 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 53' ' ' PRO . 77.3 t -92.22 144.87 29.7 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.562 -0.744 . . . . 2.44 111.108 -177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.3 162.1 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.409 2.739 . . . . 3.15 111.889 167.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.75 12.39 1.05 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.738 -0.664 . . . . 2.89 114.598 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -98.27 117.5 64.76 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 117.212 0.506 . . . . 1.96 109.873 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.39 -33.89 98.23 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.824 2.349 . . . . 1.5 112.02 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.69 -46.23 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 2.7 110.892 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.51 -26.95 62.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 2.3 111.776 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HA ' HG23 ' A' ' 52' ' ' VAL . . . -65.64 -52.46 51.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.5 -0.318 . . . . 1.43 111.718 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.83 -31.51 50.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.79 0.328 . . . . 1.65 110.869 -177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.95 -26.63 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.064 -0.254 . . . . 3.82 111.048 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -36.47 38.75 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.276 -1.009 . . . . 1.82 108.276 177.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.7 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.041 -0.981 . . . . 1.23 110.686 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -55.56 -41.06 72.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.65 110.709 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.66 -55.3 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.745 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.486 HD12 HD11 ' A' ' 26' ' ' LEU . 52.5 mt -65.97 -37.13 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 121.005 -0.278 . . . . 1.23 111.008 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.57 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 1.28 111.152 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' OE1' ' HE2' ' A' ' 69' ' ' LYS . 42.0 tt0 -71.39 -43.33 67.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 2.46 110.734 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' A' ' 68' ' ' GLU . 75.3 mmtt -91.76 18.72 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 2.89 111.477 -173.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.77 131.21 42.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.31 -0.405 . . . . 1.43 110.943 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.55 108.42 1.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.298 1.999 . . . . 1.67 111.768 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.99 -154.71 23.19 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.899 -0.667 . . . . 0.91 112.106 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.99 130.24 19.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.498 2.132 . . . . 1.19 111.848 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.93 128.3 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.094 0.473 . . . . 2.13 111.018 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 32.2 mmmt -109.31 113.8 26.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.007 -0.738 . . . . 3.02 109.007 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.437 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.7 t -111.89 134.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.34 -0.391 . . . . 1.87 111.263 -175.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 55.7 tp -125.78 130.73 52.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 1.91 110.047 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HB ' HG11 ' A' ' 106' ' ' VAL . 59.4 t -113.46 126.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.437 -0.347 . . . . 1.67 110.366 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' A' ' 27' ' ' ILE . 16.3 mt -104.62 99.18 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.079 -0.341 . . . . 2.09 110.079 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' THR . 27.5 pt -87.02 131.93 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.422 -0.585 . . . . 2.06 109.422 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.443 HG21 ' HB ' ' A' ' 28' ' ' VAL . 12.2 t -132.18 152.56 51.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.982 0.42 . . . . 2.46 111.145 -174.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 -173.14 28.76 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.65 -0.704 . . . . 1.49 112.481 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 m -89.2 99.23 12.27 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.699 -0.482 . . . . 2.51 109.699 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.64 122.35 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.284 -0.416 . . . . 1.45 110.194 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.85 155.23 72.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.621 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -42.88 -45.07 9.09 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.824 2.349 . . . . 1.57 112.533 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 8.2 m-20 -53.9 -51.9 62.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.853 -0.612 . . . . 2.43 110.701 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.74 -30.33 66.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.579 -0.737 . . . . 2.37 111.171 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -59.23 -43.28 92.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 3.31 109.906 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.5 m -67.18 -41.07 86.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.446 -0.797 . . . . 1.74 110.461 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 29.4 mmtp -65.57 -43.46 89.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.732 -0.667 . . . . 2.79 111.609 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.621 0.248 . . . . 1.31 110.8 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -69.21 -32.15 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.059 0.457 . . . . 2.86 110.56 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -76.52 -46.23 27.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 3.33 110.4 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.44 95.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 1.2 110.964 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.29 70.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.381 . . . . 1.25 111.07 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.47 -47.49 72.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 2.62 110.239 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.56 -41.65 65.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.843 -0.617 . . . . 2.66 110.344 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -64.63 -24.33 67.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.844 -0.616 . . . . 1.18 111.44 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.8 -30.11 69.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 4.33 110.339 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.45 -6.77 59.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 3.62 110.509 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.84 7.95 37.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.925 -0.579 . . . . 3.63 109.711 175.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 75' ' ' LYS . 56.9 t30 67.37 38.96 3.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.936 0.874 . . . . 2.49 110.462 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.437 HG22 ' HB ' ' A' ' 76' ' ' VAL . 46.2 t -109.6 137.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.139 -0.937 . . . . 1.56 110.141 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -120.98 149.8 42.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.642 0.258 . . . . 4.67 110.382 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.412 HG11 ' HB ' ' A' ' 78' ' ' VAL . 33.8 m -122.66 141.71 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 2.17 111.145 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -140.97 147.33 38.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.369 -0.378 . . . . 3.48 110.229 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 12.0 m -97.42 130.07 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.234 0.54 . . . . 1.4 111.285 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.2 t -105.47 125.74 60.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.444 -0.798 . . . . 2.18 109.987 177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 1.97 110.54 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -148.66 147.15 23.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 1.95 110.006 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -40.0 -50.92 3.27 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.834 3.023 . . . . 1.29 114.252 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -60.45 -30.73 69.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.322 . . . . 2.48 111.692 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.51 -38.92 88.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.062 0.458 . . . . 2.7 109.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.458 ' O ' HG12 ' A' ' 119' ' ' ILE . . . -67.71 -48.93 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 1.32 111.43 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.63 -31.61 71.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 2.84 110.529 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.0 -49.19 78.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 4.3 109.985 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.87 -32.3 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 4.07 111.119 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 mm -60.63 -50.55 79.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.128 0.49 . . . . 1.44 109.948 175.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.49 -41.22 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.614 -0.721 . . . . 3.15 110.416 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.426 -0.806 . . . . 2.57 110.973 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -86.23 -36.66 19.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 3.77 111.42 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.7 t -64.06 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.393 -0.367 . . . . 1.87 111.501 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.61 170.28 9.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.225 0.536 . . . . 4.14 111.988 -172.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.276 -0.875 . . . . 6.29 110.18 -178.215 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.839 -0.43 . . . . 3.54 109.839 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -118.76 137.0 53.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 3.78 111.245 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 6.6 mp -114.73 124.14 51.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 2.32 109.737 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -113.34 128.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 1.2 111.18 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 19.8 t -112.7 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.602 -0.518 . . . . 1.16 109.602 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB ' ' A' ' 50' ' ' ILE . 80.0 mt -110.77 112.11 23.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.973 0.416 . . . . 1.92 109.949 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.86 130.86 53.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.93 110.205 -173.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.9 95.84 4.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.278 -0.419 . . . . 1.75 110.943 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 8.2 t -175.26 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.091 -0.707 . . . . 3.47 109.091 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -140.95 83.58 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.367 0.603 . . . . 5.35 109.731 167.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 36.7 t70 -125.73 171.27 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.124 -0.944 . . . . 2.29 108.886 173.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 50.5 mtpt -88.31 -69.37 0.7 Allowed 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.165 -0.614 . . . . 4.11 110.814 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 22.3 pttm -59.13 -39.77 83.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 3.66 111.964 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.4 tm? -59.16 -44.77 92.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.172 0.51 . . . . 1.98 109.992 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.09 -46.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.579 -0.737 . . . . 1.68 111.454 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 22.5 mm-40 -52.67 -57.13 11.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.778 0.323 . . . . 2.42 111.584 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.9 mm-40 -61.72 -48.06 82.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.429 . . . . 2.53 111.081 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.86 98.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.388 . . . . 1.23 111.06 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.833 -0.621 . . . . 3.24 110.427 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.63 -44.81 95.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.742 -0.663 . . . . 2.95 111.31 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 25.2 mmt -62.57 -38.7 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 3.09 110.74 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.57 -51.65 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 1.39 110.99 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.58 -39.21 87.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.454 . . . . 2.57 110.543 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -60.83 -36.92 80.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.661 -0.699 . . . . 3.4 110.935 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.64 17.58 21.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 1.28 111.422 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 65.81 43.96 2.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.847 -0.615 . . . . 2.82 112.241 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.0 mm? -103.3 142.55 34.0 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.919 -0.4 . . . . 1.77 109.919 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.31 97.82 8.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.263 -0.643 . . . . 2.13 109.263 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.5 tt -109.19 127.09 53.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 2.03 110.406 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HB ' ' CD2' ' A' ' 26' ' ' LEU . 27.8 mt -122.62 133.11 69.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.545 -0.752 . . . . 1.95 109.822 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -81.19 115.8 20.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.86 110.18 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 53' ' ' PRO . 74.2 t -94.27 147.24 33.0 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.018 -0.537 . . . . 2.44 110.532 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.534 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.2 161.24 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.117 2.545 . . . . 3.15 111.476 165.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.33 12.79 1.7 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 114.701 0.64 . . . . 2.89 114.701 -169.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 p -110.43 134.2 20.9 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 117.451 0.626 . . . . 1.96 110.852 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.49 -25.79 20.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 123.19 2.593 . . . . 1.5 113.692 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.16 -44.06 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 2.7 110.764 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.901 -0.591 . . . . 2.3 111.149 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' HB3' HG13 ' A' ' 52' ' ' VAL . . . -62.39 -53.2 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 1.43 111.381 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 41.8 mt -68.74 -31.89 52.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.905 -0.589 . . . . 1.65 111.18 -174.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -72.69 -29.98 63.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.778 -0.369 . . . . 3.82 110.371 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.3 tp -72.29 -32.18 66.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.298 -0.63 . . . . 1.82 109.298 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 60' ' ' ILE . . . -59.38 -41.26 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.731 -0.668 . . . . 1.23 110.383 174.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.79 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 2.65 110.818 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.38 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.851 -0.613 . . . . 2.21 109.873 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.68 -41.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 1.23 111.758 -175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.42 -27.69 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.28 111.683 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.82 -22.83 36.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.471 0.653 . . . . 2.46 110.043 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -101.96 10.26 39.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.567 -0.742 . . . . 2.89 110.865 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.01 136.8 19.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 1.43 110.881 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -86.28 108.68 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.392 2.061 . . . . 1.67 112.426 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.3 -163.03 14.25 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.787 -0.72 . . . . 0.91 112.529 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.65 133.48 39.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.001 2.467 . . . . 1.19 111.759 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.51 141.57 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.276 -0.42 . . . . 2.13 110.926 -176.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.69 128.51 49.74 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.25 -1.019 . . . . 3.02 108.25 169.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' HG21 ' A' ' 104' ' ' VAL . 32.9 t -124.11 128.88 74.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.819 0.342 . . . . 1.87 110.552 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.1 tp -120.12 120.67 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 1.91 110.299 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.29 117.64 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.851 -0.613 . . . . 1.67 110.223 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.5 99.63 10.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 2.09 110.511 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.84 110.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.893 -0.594 . . . . 2.06 109.497 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 7.8 m -88.61 124.72 34.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.824 0.345 . . . . 2.46 110.473 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.65 160.99 34.4 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.458 -0.657 . . . . 1.49 111.458 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 p -70.56 122.75 20.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.946 0.403 . . . . 2.51 110.3 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.58 123.12 26.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.45 110.675 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.89 141.28 95.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.302 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -39.68 -49.83 3.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.864 3.042 . . . . 1.57 114.141 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 2.0 p-10 -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.532 0.206 . . . . 2.43 111.127 -176.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.96 -35.26 59.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 2.37 110.675 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HD2' ' O ' ' A' ' 89' ' ' LYS . 3.3 tmmm? -65.78 -36.81 84.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.827 -0.624 . . . . 3.31 109.625 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.4 m -66.5 -43.01 86.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 1.74 110.953 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 43.1 mtmt -64.13 -38.5 91.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.129 0.49 . . . . 2.79 110.082 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.56 77.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.731 -0.668 . . . . 1.31 109.953 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -60.7 -44.94 95.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.751 -0.659 . . . . 2.86 110.179 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -61.12 -50.58 72.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.657 -0.701 . . . . 3.33 111.113 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.55 96.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 1.2 111.308 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.93 86.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.495 -0.321 . . . . 1.25 111.425 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.8 -37.05 86.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.586 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -78.12 -20.41 52.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 2.66 110.507 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.11 31.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.983 -0.553 . . . . 1.18 111.677 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.23 -25.89 62.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 4.33 111.624 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -61.88 -25.12 67.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 3.62 111.71 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -113.79 31.14 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 3.63 111.11 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 59.79 40.95 18.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.761 -0.654 . . . . 2.49 111.671 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.423 HG21 ' HB ' ' A' ' 76' ' ' VAL . 46.1 t -96.38 114.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.973 -0.38 . . . . 1.56 109.973 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 3.7 mpt_? -111.83 145.27 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.194 -0.457 . . . . 4.67 110.472 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.44 134.98 54.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.276 -0.42 . . . . 2.17 110.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.33 152.72 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.315 -0.402 . . . . 3.48 110.009 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 m -113.96 128.73 56.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.022 0.439 . . . . 1.4 110.829 -175.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.62 144.83 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 2.18 110.177 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 p -112.0 -13.88 13.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.338 0.59 . . . . 1.97 110.706 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.42 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 47.8 m -150.09 159.17 35.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.61 -0.723 . . . . 1.95 109.412 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.58 -23.05 54.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.999 2.466 . . . . 1.29 113.279 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.6 -51.67 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.682 -0.235 . . . . 2.48 111.515 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.42 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 1.8 mp0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.758 0.313 . . . . 2.7 110.295 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.11 -46.48 82.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.83 -0.623 . . . . 1.32 110.791 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 2.84 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -70.21 -46.2 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 4.3 110.923 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -63.39 -39.76 95.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 4.07 111.011 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.28 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.656 0.265 . . . . 1.44 110.435 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 3.15 110.87 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.73 -40.74 92.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.199 0.523 . . . . 2.57 109.981 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 71.9 t80 -63.92 -47.78 79.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.08 -0.963 . . . . 3.77 111.352 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 p -64.65 -31.2 72.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.247 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 59.65 83.81 0.13 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.747 0.785 . . . . 4.14 109.39 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--O 1.251 1.176 0 CA-C-N 115.176 -0.92 . . . . 6.29 110.3 -175.31 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 73' ' ' PRO . 25.8 ttt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.958 -0.386 . . . . 3.54 109.958 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -101.46 112.88 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 3.78 111.2 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.22 103.62 13.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.505 -0.554 . . . . 2.32 109.505 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 25.6 t -115.79 149.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 1.2 110.9 -171.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.19 116.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.649 -0.25 . . . . 1.16 110.498 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.9 mp -106.38 119.95 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.923 -0.769 . . . . 1.92 108.923 171.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.455 HG12 ' OG ' ' A' ' 29' ' ' SER . 13.4 tt -113.86 122.62 68.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.296 0.57 . . . . 1.93 111.345 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.21 99.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.536 -1.283 . . . . 1.75 107.536 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 3.0 m -105.66 142.35 35.55 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.377 0.88 . . . . 3.47 113.377 -163.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -79.17 -169.74 1.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.316 -1.311 . . . . 5.35 108.746 165.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -23.12 134.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.619 0.97 . . . . 2.29 113.619 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 57.2 mtpt -58.9 -17.96 28.97 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.283 1.216 . . . . 4.11 114.283 -166.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.69 -36.21 76.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.889 0.313 . . . . 3.66 110.698 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.418 -0.356 . . . . 1.98 110.262 176.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 29' ' ' SER . 43.8 mt -56.55 -44.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.7 . . . . 1.68 110.489 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 38.6 mt-10 -55.31 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 2.42 111.425 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.42 -32.29 73.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.551 -0.295 . . . . 2.53 111.756 -175.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.99 65.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.383 . . . . 1.23 110.998 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -66.98 -35.37 79.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 3.24 110.922 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.0 mttt -59.85 -37.91 80.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 2.95 110.754 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.99 -35.14 64.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 3.09 110.837 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.79 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.336 0.589 . . . . 1.39 110.247 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.31 -38.23 90.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 2.57 109.936 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -71.4 -22.96 61.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 3.4 110.488 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.17 8.7 42.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.853 -0.612 . . . . 1.28 111.323 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 59.22 38.92 23.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.518 0.675 . . . . 2.82 110.764 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.9 mt -102.48 168.03 9.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.782 -0.645 . . . . 1.77 110.351 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -109.0 101.33 10.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.069 -0.715 . . . . 2.13 109.069 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -104.93 128.49 53.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.383 0.611 . . . . 2.03 110.725 -176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.1 mt -117.14 130.0 72.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.11 -0.95 . . . . 1.95 110.074 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.8 p -101.96 99.09 9.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.163 -0.472 . . . . 1.86 111.377 -177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.69 82.16 45.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 2.44 110.326 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HB3' ' H ' ' A' ' 29' ' ' SER . 92.1 Cg_endo -90.79 102.41 0.27 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 122.136 1.89 . . . . 3.15 113.602 170.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.95 -51.89 0.14 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.161 -1.495 . . . . 2.89 111.196 158.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -119.77 163.1 29.47 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.136 -0.532 . . . . 1.96 109.577 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.92 -47.81 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 121.382 1.388 . . . . 1.5 110.706 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.01 -36.27 74.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.322 -0.854 . . . . 2.7 111.201 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.52 -56.88 15.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.3 111.576 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' O ' HD21 ' A' ' 26' ' ' LEU . . . -59.65 -39.09 83.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 1.43 111.381 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.8 -35.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 1.65 110.955 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -61.41 -48.55 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 3.82 110.797 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 66' ' ' ILE . 43.0 tp -66.92 -33.17 75.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.937 -0.394 . . . . 1.82 109.937 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.04 90.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 1.23 110.412 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.29 -42.41 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.725 -0.67 . . . . 2.65 110.478 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.704 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.2 mt-10 -60.55 -48.22 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 2.21 111.105 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 62' ' ' LEU . 67.5 mt -60.62 -35.65 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.928 -0.309 . . . . 1.23 110.827 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.95 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 1.28 111.164 178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.84 -35.25 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 2.46 110.666 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 77.1 mttt -90.5 0.67 57.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 2.89 111.064 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.76 120.57 67.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 1.43 110.82 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.6 108.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.232 1.955 . . . . 1.67 112.086 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.55 15.9 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.738 -0.744 . . . . 0.91 112.668 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' MET . 21.7 Cg_exo -65.78 119.94 7.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.079 2.519 . . . . 1.19 112.86 -178.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.66 139.82 34.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 2.13 110.256 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -146.34 109.51 4.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 3.02 109.811 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 3.5 p -117.77 131.83 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.323 0.583 . . . . 1.87 111.266 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -109.57 130.33 55.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.784 . . . . 1.91 110.008 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 43.4 t -107.16 129.17 61.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.675 -0.491 . . . . 1.67 109.675 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.03 128.29 54.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.409 -0.36 . . . . 2.09 111.069 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.8 mt -105.96 110.35 31.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.85 -0.796 . . . . 2.06 108.85 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 44.7 p -84.36 129.4 34.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.237 0.541 . . . . 2.46 111.578 -175.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.25 -148.65 18.79 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.585 -0.734 . . . . 1.49 111.766 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.879 -0.415 . . . . 2.51 109.879 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.37 111.92 17.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.75 0.309 . . . . 1.45 111.002 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 26.8 t70 -58.06 145.51 72.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.869 -0.605 . . . . 2.07 109.763 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 85' ' ' ASP . 20.9 Cg_exo -32.44 -47.72 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 124.428 3.419 . . . . 1.57 115.209 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.18 -48.63 72.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 2.43 111.32 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -36.13 80.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 2.37 110.379 175.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.8 -35.39 79.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 3.31 110.452 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.9 m -59.16 -48.94 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.74 110.567 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -24.03 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 2.79 111.31 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.33 79.87 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.482 -0.562 . . . . 1.31 109.482 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -79.8 -53.34 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.43 -0.805 . . . . 2.86 110.917 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.5 -52.46 63.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 3.33 111.47 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.31 71.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.508 -0.314 . . . . 1.2 111.331 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.04 -50.52 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.619 0.247 . . . . 1.25 111.282 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 37.5 mt-10 -68.47 -19.7 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 2.62 111.247 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.78 -50.61 8.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.198 0.523 . . . . 2.66 110.31 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.2 -13.69 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.016 -0.538 . . . . 1.18 112.216 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 12.7 ptm180 -59.35 -20.53 55.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.703 0.287 . . . . 4.33 111.502 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.98 -24.4 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.492 . . . . 3.62 110.51 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -101.48 18.98 18.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.779 -0.646 . . . . 3.63 109.796 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.67 29.38 8.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.933 -1.031 . . . . 2.49 110.685 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 76' ' ' VAL . 61.8 t -86.28 134.61 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.583 -0.735 . . . . 1.56 109.249 174.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -135.24 136.7 41.92 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.802 0.334 . . . . 4.67 110.782 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.2 t -118.81 126.04 74.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.135 -0.484 . . . . 2.17 110.483 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -127.22 137.39 52.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.268 -0.424 . . . . 3.48 110.568 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.7 m -94.07 116.93 29.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 1.4 110.306 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' THR . 7.0 m -111.45 109.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.506 0.67 . . . . 2.18 110.599 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -78.45 -14.81 59.2 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.543 -0.753 . . . . 1.97 111.032 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.9 p -136.95 156.54 75.78 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.249 -0.432 . . . . 1.95 110.689 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.67 -34.65 83.51 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.673 2.248 . . . . 1.29 112.158 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.1 -41.92 99.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 2.48 111.002 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 62.6 mm-40 -65.33 -38.36 89.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.44 -0.346 . . . . 2.7 110.765 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -58.39 -51.9 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 1.32 110.432 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 2.84 110.538 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 40.7 ttt180 -57.84 -56.82 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.442 -0.799 . . . . 4.3 110.87 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.455 ' O ' ' HD2' ' A' ' 122' ' ' PHE . 28.3 m95 -66.45 -36.35 82.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 4.07 111.073 -175.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.4 mt -56.17 -38.68 55.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 1.44 110.44 176.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.62 -44.55 42.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 3.15 110.632 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.65 -41.57 97.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.57 111.596 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.455 ' HD2' ' O ' ' A' ' 118' ' ' TRP . 70.0 m-85 -82.46 -16.26 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 3.77 112.397 -176.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 p -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 1.87 110.518 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.11 -37.72 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.14 110.056 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.269 -0.872 . . . . 6.29 111.157 174.421 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.813 0.339 . . . . 3.54 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -94.97 126.53 40.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.536 -0.302 . . . . 3.78 110.658 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' HB2' HD23 ' A' ' 47' ' ' LEU . 84.6 mt -110.46 105.7 14.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.897 -0.592 . . . . 2.32 109.681 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 24.1 t -115.18 144.29 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.761 -0.654 . . . . 1.2 109.968 -176.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.97 118.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.603 0.24 . . . . 1.16 110.412 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 5.1 mp -106.33 121.05 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.405 -0.591 . . . . 1.92 109.405 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 79' ' ' LEU . 2.4 tp -106.29 121.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.143 0.497 . . . . 1.93 111.077 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -99.86 95.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.788 -0.642 . . . . 1.75 109.501 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -173.9 151.57 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 3.47 109.485 175.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -113.06 83.13 1.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.23 -0.656 . . . . 5.35 109.23 170.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.49 159.22 32.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.023 -0.99 . . . . 2.29 108.911 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -91.16 -64.73 1.09 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.327 -0.549 . . . . 4.11 110.224 174.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.31 -36.0 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.947 -0.57 . . . . 3.66 111.839 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.95 -50.13 57.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.915 -0.402 . . . . 1.98 109.915 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.76 -40.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 1.68 111.286 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 55.2 mt-10 -56.21 -54.56 43.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 2.42 110.993 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 41' ' ' MET . 24.1 tt0 -67.37 -42.0 84.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 2.53 111.228 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.068 0.461 . . . . 1.23 110.584 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -67.28 -42.17 84.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.788 -0.642 . . . . 3.24 110.589 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.0 mtpp -64.56 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 2.95 110.782 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.565 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 84.8 mtp -58.76 -49.96 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 3.09 110.387 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -61.42 -37.89 85.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 1.39 110.655 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.37 -43.71 93.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.167 -0.47 . . . . 2.57 110.941 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.95 -46.01 72.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 3.4 111.25 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.85 -0.83 52.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.176 -0.465 . . . . 1.28 111.675 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.27 35.99 12.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.803 -0.635 . . . . 2.82 111.37 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 23' ' ' LEU . 17.5 mt -93.33 164.6 13.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.55 99.99 11.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 2.13 110.538 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.4 tm? -90.74 121.66 32.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.715 -0.675 . . . . 2.03 109.302 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 44.1 mm -120.72 117.77 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.13 -0.486 . . . . 1.95 110.323 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -95.46 98.98 10.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.224 -0.443 . . . . 1.86 111.39 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.52 81.47 35.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 2.44 110.404 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -90.43 102.27 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.226 1.951 . . . . 3.15 113.307 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.19 -51.27 0.15 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.295 -1.431 . . . . 2.89 111.156 161.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -119.82 160.27 43.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 108.964 -0.754 . . . . 1.96 108.964 166.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.28 -43.96 16.61 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.415 1.41 . . . . 1.5 111.109 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.04 -18.42 60.84 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.706 -0.679 . . . . 2.7 111.272 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.7 -52.56 63.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 2.3 110.284 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.31 72.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.43 110.793 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 HG22 ' A' ' 78' ' ' VAL . 29.4 mm -61.95 -46.15 97.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.078 0.466 . . . . 1.65 110.257 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -66.94 -39.68 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 3.82 111.059 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.51 -32.29 71.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.789 0.328 . . . . 1.82 110.311 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 1.23 110.065 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 60' ' ' ILE . 78.3 mt-30 -59.49 -41.67 90.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.624 -0.716 . . . . 2.65 110.124 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 49.9 mm-40 -58.76 -55.77 30.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.627 -0.715 . . . . 2.21 110.838 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.02 -40.4 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.23 110.925 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.67 94.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.219 0.452 . . . . 1.28 112.219 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 8.1 pt-20 -81.98 -27.5 33.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.759 -0.376 . . . . 2.46 111.473 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.0 mmtp -86.08 -24.95 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.136 -0.226 . . . . 2.89 111.6 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.83 122.63 87.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.766 -0.197 . . . . 1.43 110.983 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.71 108.27 1.42 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.523 2.149 . . . . 1.67 112.022 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.71 -179.0 16.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.854 -0.612 . . . . 0.91 112.044 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.44 124.71 13.74 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.914 2.409 . . . . 1.19 111.79 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.8 t -118.19 132.88 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 2.13 110.608 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -125.83 103.09 7.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.057 -0.72 . . . . 3.02 109.057 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' HG21 ' A' ' 104' ' ' VAL . 2.9 p -108.84 129.4 63.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.559 0.695 . . . . 1.87 111.174 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -102.63 125.53 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.171 -0.922 . . . . 1.91 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.481 HG22 HD12 ' A' ' 60' ' ' ILE . 62.4 t -100.9 115.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.493 0.663 . . . . 1.67 109.698 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 27' ' ' ILE . 12.0 tp -101.93 117.52 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.985 -1.007 . . . . 2.09 109.595 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt -116.2 110.61 32.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 2.06 110.265 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.3 m -107.43 131.14 54.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.432 -0.349 . . . . 2.46 111.235 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.09 -177.92 16.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.831 -0.7 . . . . 1.49 113.053 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -81.44 99.87 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 2.51 109.912 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 130.6 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.986 -0.552 . . . . 1.45 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -75.59 160.03 80.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 2.07 109.964 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -45.68 -49.92 10.14 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.012 2.475 . . . . 1.57 113.237 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.09 -35.87 76.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 2.43 110.804 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -61.74 -40.67 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 2.37 110.43 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 3.31 110.481 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -62.85 -45.01 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.74 110.873 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -60.92 -46.04 92.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 2.79 110.933 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.07 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.31 110.476 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -59.79 -47.9 83.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.032 -0.531 . . . . 2.86 110.682 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 24.8 ttpp -65.31 -55.45 18.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 3.33 110.639 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 60' ' ' ILE . . . -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.694 -0.685 . . . . 1.2 111.946 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -57.32 -51.35 69.73 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.465 -0.334 . . . . 1.25 111.049 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.16 -41.37 94.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.994 0.426 . . . . 2.62 110.61 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 41.1 mt-10 -62.83 -41.02 99.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 2.66 110.978 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.98 34.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.512 . . . . 1.18 111.871 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 68.2 ttt180 -63.5 -11.68 25.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.404 . . . . 4.33 111.15 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -66.55 -21.4 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.203 0.525 . . . . 3.62 110.017 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -106.31 22.34 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.544 -0.753 . . . . 3.63 110.11 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 62.4 29.2 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.738 -0.664 . . . . 2.49 111.762 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.487 HG21 ' CG1' ' A' ' 76' ' ' VAL . 62.8 t -78.91 108.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.432 -0.581 . . . . 1.56 109.432 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -111.95 134.2 53.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.009 -0.541 . . . . 4.67 110.246 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.49 138.43 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.978 0.418 . . . . 2.17 111.134 -177.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.543 ' HA ' ' HE ' ' A' ' 107' ' ' ARG . 3.5 mmp_? -138.33 122.74 18.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.096 -0.502 . . . . 3.48 110.406 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.1 m -86.54 138.81 31.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 1.4 110.234 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.2 t -118.4 126.09 74.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.882 -0.599 . . . . 2.18 110.569 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -114.29 -27.24 7.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 1.97 110.587 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 39.3 t -128.26 140.2 37.65 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.191 -0.67 . . . . 1.95 109.191 176.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 47.8 Cg_exo -54.97 -25.09 42.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.701 2.934 . . . . 1.29 114.244 -172.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.08 -26.24 62.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.614 0.245 . . . . 2.48 110.868 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.62 -44.68 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.459 -0.337 . . . . 2.7 110.562 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.69 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 1.32 110.652 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 31.3 ttpt -63.91 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.239 -0.891 . . . . 2.84 110.649 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.0 ttm105 -74.03 -48.43 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.752 -0.658 . . . . 4.3 110.996 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.425 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 7.6 m95 -56.96 -51.16 70.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.47 -0.332 . . . . 4.07 111.077 -177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.8 mt -55.21 -47.41 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 1.44 111.065 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.19 -43.02 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.447 -0.342 . . . . 3.15 111.281 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.11 -38.62 85.95 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.539 -0.3 . . . . 2.57 111.312 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 47.9 m-85 -77.65 -28.23 51.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.237 -0.185 . . . . 3.77 111.374 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m -69.82 -48.05 60.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.479 -0.563 . . . . 1.87 109.479 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.06 79.17 0.26 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.388 0.613 . . . . 4.14 111.245 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.458 -0.792 . . . . 6.29 109.761 178.442 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 ttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.075 -0.343 . . . . 3.54 110.075 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 27.8 mmt180 -116.72 88.82 2.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.377 0.608 . . . . 3.78 110.634 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -113.24 113.89 25.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.954 -0.758 . . . . 2.32 108.954 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 66' ' ' ILE . 46.4 t -118.36 145.87 23.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.798 -0.637 . . . . 1.2 111.456 -168.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.37 122.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.271 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.04 110.96 23.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.889 -0.596 . . . . 1.92 109.705 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 tp -114.95 136.44 51.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.142 0.496 . . . . 1.93 110.403 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HB ' ' HA2' ' A' ' 54' ' ' GLY . 32.7 m -88.57 152.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 1.75 109.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 m -69.64 146.49 51.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.956 0.725 . . . . 3.47 112.956 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.519 ' HB3' HG21 ' A' ' 81' ' ' THR . 5.2 p-10 -175.27 -170.94 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.383 -1.28 . . . . 5.35 107.617 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' OD2' ' HB3' ' A' ' 33' ' ' LYS . 25.4 t70 -35.02 118.08 0.42 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.564 0.54 . . . . 2.29 111.016 174.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.27 -24.16 66.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.506 -0.77 . . . . 4.11 112.475 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 8.0 ttpm? -56.94 -48.14 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 3.66 110.326 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 30' ' ' ASN . 8.8 tt -63.24 -43.13 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.98 110.424 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.4 mt -55.42 -46.39 78.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.154 -0.476 . . . . 1.68 110.122 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.9 mt-10 -65.62 -50.58 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 2.42 111.603 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 21.5 mm-40 -63.17 -39.79 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.773 0.321 . . . . 2.53 111.145 -175.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.02 96.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.079 0.466 . . . . 1.23 110.263 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 78.7 ttt180 -64.79 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.756 -0.656 . . . . 3.24 111.077 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.6 mttp -57.7 -48.04 80.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 2.95 111.091 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -72.72 -29.78 63.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.478 -0.328 . . . . 3.09 111.15 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.2 58.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.338 -0.392 . . . . 1.39 110.306 176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.7 -27.98 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.107 -0.497 . . . . 2.57 110.25 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.97 -26.38 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.625 -0.716 . . . . 3.4 111.043 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.7 16.49 18.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.123 0.487 . . . . 1.28 110.818 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.83 49.93 13.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.086 -0.961 . . . . 2.82 111.131 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -98.71 149.47 22.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.453 -0.573 . . . . 1.77 109.453 175.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -81.3 98.82 8.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 2.13 109.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 1.6 tm? -89.16 120.56 30.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.752 -0.462 . . . . 2.03 109.752 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.52 122.81 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.137 -0.483 . . . . 1.95 110.223 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 m -98.42 128.66 44.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 1.86 110.322 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 53' ' ' PRO . 14.1 m -116.79 173.08 3.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.302 -0.408 . . . . 2.44 109.975 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.68 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.2 Cg_endo -47.21 159.69 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.747 2.298 . . . . 3.15 111.891 165.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -71.96 6.85 8.6 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 115.896 -0.593 . . . . 2.89 114.37 -171.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -96.36 138.49 21.52 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.372 0.586 . . . . 1.96 111.153 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -70.5 -22.84 28.14 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.166 2.577 . . . . 1.5 112.91 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.5 -50.78 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 2.7 110.65 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.53 -34.61 77.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.906 -0.588 . . . . 2.3 111.291 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.67 -54.67 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 1.43 111.178 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.74 -36.81 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.432 -0.349 . . . . 1.65 111.201 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -63.74 -31.33 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.956 -0.297 . . . . 3.82 110.847 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.57 ' O ' HG12 ' A' ' 66' ' ' ILE . 30.0 tp -76.85 -33.45 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.738 -0.467 . . . . 1.82 109.738 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -65.48 -29.43 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 1.23 110.892 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -42.78 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 2.65 109.801 172.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.38 -38.21 87.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.629 -0.714 . . . . 2.21 109.739 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 62' ' ' LEU . 50.2 mm -53.98 -58.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 1.23 110.7 176.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.49 70.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 1.28 111.174 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.34 -32.39 70.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 2.46 110.552 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' HZ2' ' A' ' 69' ' ' LYS . 1.7 mmmp? -110.04 21.19 17.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.709 -0.678 . . . . 2.89 110.614 -175.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 112.89 65.01 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.216 -0.447 . . . . 1.43 111.795 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -76.16 109.0 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.885 2.39 . . . . 1.67 111.782 174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 -154.84 21.42 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.572 -0.74 . . . . 0.91 112.83 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.32 119.78 6.82 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.093 2.529 . . . . 1.19 111.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 7.7 p -131.49 138.04 53.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 2.13 111.347 -177.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -133.03 137.79 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.655 -0.869 . . . . 3.02 108.655 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.9 t -121.92 125.39 73.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.041 0.448 . . . . 1.87 111.059 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD11 ' HD2' ' A' ' 107' ' ' ARG . 66.9 tp -101.14 121.64 42.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.071 -0.513 . . . . 1.91 109.902 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.43 118.0 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.876 0.37 . . . . 1.67 110.619 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -98.8 114.24 26.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.041 -0.527 . . . . 2.09 110.208 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 108' ' ' THR . 11.3 pt -112.89 127.0 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.756 -0.461 . . . . 2.06 109.756 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 15.1 t -101.79 143.28 31.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 2.46 111.577 -172.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.58 -166.82 54.33 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.821 -0.627 . . . . 1.49 112.063 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -102.68 110.33 22.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.848 0.356 . . . . 2.51 110.195 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 136.68 54.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 1.45 110.695 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.59 144.53 88.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.823 -0.626 . . . . 2.07 110.132 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -37.47 -48.93 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.595 3.53 . . . . 1.57 114.841 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.66 -50.73 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.835 0.35 . . . . 2.43 111.175 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.48 -31.13 69.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 2.37 110.497 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.32 -45.45 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.737 -0.665 . . . . 3.31 109.83 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.0 m -71.37 -40.88 70.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.76 -0.655 . . . . 1.74 110.949 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.9 -47.78 79.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.804 -0.635 . . . . 2.79 110.67 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.7 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 1.31 110.677 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.44 -51.1 71.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.86 110.718 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -61.99 -42.16 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 3.33 110.61 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.57 68.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.802 -0.635 . . . . 1.2 110.976 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.92 78.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 1.25 112.102 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.56 -38.76 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.762 -0.375 . . . . 2.62 110.818 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.38 -40.56 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.087 0.47 . . . . 2.66 110.317 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.49 -15.83 62.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.876 -0.602 . . . . 1.18 111.661 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -62.67 -17.29 60.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 4.33 111.08 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.36 -36.31 75.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 3.62 110.418 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -100.44 18.16 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.574 . . . . 3.63 109.724 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.43 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER 65.4 28.81 11.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.949 -1.023 . . . . 2.49 111.727 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 41.0 t -79.59 99.57 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.869 -0.789 . . . . 1.56 108.869 173.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -116.02 139.54 50.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 4.67 111.133 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.53 144.58 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.001 -0.545 . . . . 2.17 111.029 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.484 ' HD3' ' CD2' ' A' ' 118' ' ' TRP . 98.8 mtt180 -139.14 134.83 33.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.911 -0.586 . . . . 3.48 109.716 175.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 28.0 m -89.33 125.17 35.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.973 0.416 . . . . 1.4 110.893 -177.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.5 m -118.69 131.32 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.012 -0.54 . . . . 2.18 110.721 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.1 p -113.97 -18.21 11.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.419 . . . . 1.97 111.026 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 p -135.6 152.82 76.94 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 116.096 -0.502 . . . . 1.95 110.513 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.12 -41.92 55.41 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.732 2.288 . . . . 1.29 112.912 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.51 -44.63 69.26 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.066 -0.515 . . . . 2.48 111.805 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 2.7 110.794 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.63 84.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 1.32 110.654 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.8 -44.69 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 2.84 110.462 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -61.48 -49.77 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.601 -0.727 . . . . 4.3 111.081 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.484 ' CD2' ' HD3' ' A' ' 107' ' ' ARG . 9.9 m95 -65.09 -42.09 94.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 4.07 111.624 -177.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.1 mt -65.83 -42.68 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.667 0.27 . . . . 1.44 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.59 -29.41 67.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.793 0.33 . . . . 3.15 110.236 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -67.78 -43.51 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.22 -0.659 . . . . 2.57 109.22 174.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.85 -23.38 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.029 -0.987 . . . . 3.77 110.406 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.1 m -76.97 -8.08 56.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.445 -0.798 . . . . 1.87 110.999 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -109.27 129.16 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.842 0.353 . . . . 4.14 110.755 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.667 -0.682 . . . . 6.29 110.188 -179.424 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 42.0 ttp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.839 0.352 . . . . 3.54 110.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.451 HH21 ' CD ' ' A' ' 48' ' ' GLU . 39.0 ttt85 -91.41 114.71 27.31 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.927 -0.397 . . . . 3.78 109.927 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB2' HD21 ' A' ' 47' ' ' LEU . 2.9 mm? -94.46 118.13 31.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.487 -0.561 . . . . 2.32 109.487 176.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.02 135.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.859 -0.609 . . . . 1.2 109.719 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.51 124.61 71.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.904 0.383 . . . . 1.16 110.941 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.6 mm? -111.53 121.44 45.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.973 -0.558 . . . . 1.92 110.001 176.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.0 mm -113.14 121.04 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.301 -0.259 . . . . 1.93 110.301 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.563 ' CG2' ' HA ' ' A' ' 80' ' ' ILE . 6.3 m -102.08 94.61 3.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.688 0.756 . . . . 1.75 110.655 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -174.76 145.5 0.88 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.224 -0.898 . . . . 3.47 109.416 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -111.06 81.62 1.46 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.712 -0.848 . . . . 5.35 108.712 166.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 30.9 t70 -125.8 131.78 52.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.364 -0.835 . . . . 2.29 109.532 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -64.92 -33.93 77.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.438 -0.347 . . . . 4.11 111.608 -176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -80.54 -56.74 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.829 -0.348 . . . . 3.66 110.898 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 38.0 tp -53.68 -50.32 66.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 1.98 111.341 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 HG23 HG23 ' A' ' 51' ' ' THR . 57.0 mt -60.49 -51.59 71.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 1.68 111.407 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 26.4 mm-40 -67.35 -42.21 83.87 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.657 -0.417 . . . . 2.42 111.801 -176.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 41' ' ' MET . 27.6 tt0 -66.93 -43.98 81.87 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.848 -0.341 . . . . 2.53 110.581 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.18 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.143 0.496 . . . . 1.23 109.867 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -58.81 -47.3 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.384 -0.826 . . . . 3.24 110.631 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.5 mmtp -60.42 -39.83 88.84 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.229 -0.441 . . . . 2.95 111.051 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 33.6 mmt -66.95 -51.4 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 3.09 110.609 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.8 98.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 1.39 111.202 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.93 -43.18 96.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 2.57 110.715 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.47 -32.4 74.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 3.4 111.071 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.31 0.41 56.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.398 -0.365 . . . . 1.28 111.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.12 40.86 21.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.449 -0.796 . . . . 2.82 111.29 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 23' ' ' LEU . 51.7 mt -99.12 175.18 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.748 -0.66 . . . . 1.77 110.251 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 22' ' ' ARG . 34.4 tt0 -110.06 111.59 23.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 2.13 110.292 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 tt -126.54 129.49 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 2.03 110.405 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -121.93 130.32 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.934 -0.576 . . . . 1.95 110.268 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.471 HG23 HG23 ' A' ' 35' ' ' ILE . 14.3 p -93.15 137.11 32.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.219 0.533 . . . . 1.86 110.952 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 53' ' ' PRO . 40.6 t -129.98 149.75 74.02 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.282 -0.872 . . . . 2.44 109.918 -175.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG11 ' A' ' 52' ' ' VAL . 6.9 Cg_endo -49.14 160.43 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.822 2.348 . . . . 3.15 111.493 167.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.77 -1.78 6.88 Favored Glycine 0 C--N 1.317 -0.494 0 N-CA-C 115.503 0.961 . . . . 2.89 115.503 -166.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 p -70.15 116.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 117.731 0.766 . . . . 1.96 110.507 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.93 -47.49 15.32 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.609 2.873 . . . . 1.5 114.306 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 91' ' ' LYS . 25.8 tt0 -65.55 -32.66 74.37 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.713 -0.395 . . . . 2.7 110.809 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -56.57 -46.65 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.545 . . . . 2.3 110.949 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 1.43 111.661 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.31 -35.63 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.082 0.468 . . . . 1.65 110.073 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -69.28 -34.55 74.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 3.82 110.151 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -43.86 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.779 -0.823 . . . . 1.82 108.779 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.87 90.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.183 -0.917 . . . . 1.23 110.878 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.2 88.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 2.65 109.686 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -57.55 -48.09 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.701 -0.682 . . . . 2.21 110.64 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.1 mt -73.09 -43.79 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.584 -0.28 . . . . 1.23 111.751 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.08 83.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.992 0.367 . . . . 1.28 111.992 -174.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.15 -29.19 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 2.46 110.424 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.494 ' HZ1' ' HB3' ' A' ' 69' ' ' LYS . 3.8 mmmp? -101.11 20.17 16.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.747 -0.66 . . . . 2.89 111.11 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 130.68 42.4 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.513 -0.312 . . . . 1.43 111.247 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -86.24 108.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.613 2.208 . . . . 1.67 112.202 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.75 -166.03 22.46 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.887 -0.673 . . . . 0.91 112.366 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.59 127.18 17.48 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.845 2.363 . . . . 1.19 111.799 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.64 143.79 28.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 2.13 110.62 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' HD3' ' HB3' ' A' ' 103' ' ' ASN . 45.6 mmtm -134.81 117.9 16.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.114 -0.699 . . . . 3.02 109.114 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 125.38 63.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.173 0.511 . . . . 1.87 110.686 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -106.93 119.36 39.13 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.614 -0.721 . . . . 1.91 110.041 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.56 122.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.028 0.442 . . . . 1.67 110.127 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.03 105.89 16.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.865 -0.607 . . . . 2.09 110.703 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.563 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 20.2 pt -89.13 119.54 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.444 -0.576 . . . . 2.06 109.444 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 17.1 m -95.27 123.67 38.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 2.46 111.658 -172.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.7 -149.09 16.82 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.003 -0.617 . . . . 1.49 112.118 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 m -109.94 105.94 15.3 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.185 -0.302 . . . . 2.51 110.185 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.23 125.97 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 1.45 110.492 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.04 146.22 99.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.34 -0.615 . . . . 2.07 109.34 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -42.55 -50.94 5.45 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.259 2.639 . . . . 1.57 113.908 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.69 -39.66 64.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 2.43 110.884 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.6 -33.15 75.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 2.37 111.262 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' HZ3' ' HB3' ' A' ' 89' ' ' LYS . 6.0 ttpm? -65.69 -42.09 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.178 -0.464 . . . . 3.31 110.176 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -72.55 -32.9 66.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.153 0.501 . . . . 1.74 110.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 44.6 tptt -61.78 -42.93 99.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.733 -0.667 . . . . 2.79 109.492 176.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.06 70.53 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.415 -0.811 . . . . 1.31 110.19 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 -49.83 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 2.86 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mmmm -55.84 -52.82 62.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 3.33 111.18 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.23 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 1.2 111.359 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.59 77.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.076 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.02 -37.83 81.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 2.62 110.574 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 46.8 mt-10 -72.75 -51.65 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 2.66 110.068 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.84 62.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.316 -0.856 . . . . 1.18 111.79 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -53.04 -34.44 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 4.33 110.898 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -71.7 -11.12 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 3.62 111.189 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -113.82 19.09 16.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.445 . . . . 3.63 110.594 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.439 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 11.6 m120 66.24 46.86 1.94 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.38 -0.827 . . . . 2.49 112.203 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.6 t -103.16 106.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.182 0.515 . . . . 1.56 109.774 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -106.26 108.55 20.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.769 -0.65 . . . . 4.67 110.665 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.26 134.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.493 . . . . 2.17 110.605 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -144.45 153.24 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 3.48 110.095 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.418 ' HA ' HG13 ' A' ' 80' ' ' ILE . 27.6 m -87.22 128.18 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.128 -0.487 . . . . 1.4 111.954 -175.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 81' ' ' THR . 12.9 p -122.38 141.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.299 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 p -120.32 -29.57 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.879 0.371 . . . . 1.97 111.643 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -122.13 141.44 34.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 1.95 110.318 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.503 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 51.2 Cg_exo -54.26 -36.37 86.22 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.187 2.591 . . . . 1.29 113.156 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -62.57 -29.24 70.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.583 -0.28 . . . . 2.48 111.253 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.485 ' HB2' HG22 ' A' ' 109' ' ' VAL . 48.0 mt-10 -65.57 -55.89 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.007 -0.368 . . . . 2.7 110.007 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.53 79.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.907 -0.588 . . . . 1.32 110.317 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.544 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 58.9 tttm -56.66 -34.65 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.339 -0.846 . . . . 2.84 111.206 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -76.86 -45.07 29.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 4.3 110.629 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.466 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 6.7 m95 -62.59 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 4.07 110.971 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.34 -44.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 1.44 110.278 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.01 -38.73 89.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 3.15 110.732 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.33 -42.64 91.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.82 -0.627 . . . . 2.57 110.247 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.466 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 50.0 m-85 -77.23 -26.37 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 3.77 111.498 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.8 m -71.96 -54.19 10.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.945 0.403 . . . . 1.87 111.498 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -90.17 -177.11 5.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 4.14 110.925 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.484 -0.769 . . . . 6.29 110.588 -179.231 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.667 0.27 . . . . 3.54 110.406 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -107.28 89.85 3.12 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.353 0.597 . . . . 3.78 109.618 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -108.55 113.98 27.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.242 -0.89 . . . . 2.32 108.911 -177.273 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.439 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 14.0 t -110.56 131.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.537 -0.302 . . . . 1.2 110.751 -176.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.03 106.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.509 . . . . 1.16 110.415 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.607 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.8 mp -106.45 109.78 21.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.159 -0.682 . . . . 1.92 109.159 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tt -110.61 145.25 17.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 1.93 110.613 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t -88.33 152.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.072 -0.714 . . . . 1.75 109.072 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 12.8 t -59.38 139.19 57.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.289 0.566 . . . . 3.47 111.999 -170.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -152.92 -170.18 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.486 -1.302 . . . . 5.35 107.486 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.0 156.17 7.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.553 0.615 . . . . 2.29 111.905 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 3.4 mppt? -55.0 -42.53 72.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 4.11 110.823 -175.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -60.08 -40.7 90.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 3.66 111.39 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.66 -49.48 46.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.525 -0.307 . . . . 1.98 110.959 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.69 -46.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.403 . . . . 1.68 110.167 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.1 mm-40 -67.79 -44.25 77.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 2.42 111.66 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.55 -46.69 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.517 -0.473 . . . . 2.53 110.848 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.56 73.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.396 0.617 . . . . 1.23 110.338 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 60.4 ttt180 -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.363 -0.835 . . . . 3.24 111.012 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.5 mttm -59.8 -42.79 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 2.95 110.695 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 83.9 mtp -61.33 -43.7 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 3.09 110.297 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.35 95.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.39 110.837 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.46 -37.77 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 2.57 110.904 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.45 -42.01 59.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 3.4 111.325 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.86 6.14 49.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.816 0.302 . . . . 1.28 111.816 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 64.3 41.02 6.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.97 -0.559 . . . . 2.82 111.25 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 23' ' ' LEU . 19.0 mt -95.83 150.77 20.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 1.77 110.099 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 tp10 -81.58 98.79 8.49 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.625 -0.509 . . . . 2.13 109.625 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.4 113.29 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.542 -0.54 . . . . 2.03 109.542 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 42.5 mm -121.74 127.21 75.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 1.95 110.217 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -111.04 99.7 8.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.339 -0.391 . . . . 1.86 110.823 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG23 HG21 ' A' ' 50' ' ' ILE . 50.7 t -127.62 80.52 71.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.307 0.575 . . . . 2.44 110.361 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HB3' ' H ' ' A' ' 29' ' ' SER . 90.8 Cg_endo -91.7 106.27 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.317 2.678 . . . . 3.15 114.621 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.87 -53.19 0.16 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 118.738 -1.696 . . . . 2.89 110.527 158.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.603 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 58.2 m -119.94 174.32 2.97 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 107.844 -1.169 . . . . 1.96 107.844 158.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.97 -32.7 98.01 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 121.402 1.401 . . . . 1.5 111.629 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.603 ' OE2' ' HB2' ' A' ' 55' ' ' SER . 0.1 OUTLIER -73.92 -18.91 60.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.84 -0.618 . . . . 2.7 112.434 -176.259 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.66 -40.07 88.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.204 0.526 . . . . 2.3 110.014 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -70.67 -38.26 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.581 -0.736 . . . . 1.43 110.304 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 44.3 mt -68.52 -35.35 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 1.65 111.288 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.522 HH22 ' HB2' ' A' ' 98' ' ' GLU . 5.1 tpm_? -68.28 -38.76 82.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.006 -0.543 . . . . 3.82 110.261 -178.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -77.93 -26.4 48.94 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.396 -0.594 . . . . 1.82 109.396 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 60' ' ' ILE . . . -55.54 -43.35 75.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.408 -0.814 . . . . 1.23 110.547 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.63 -41.83 95.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.211 -0.45 . . . . 2.65 110.81 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.58 -51.79 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 2.21 110.857 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.98 -37.27 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.23 110.995 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.92 79.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.125 0.488 . . . . 1.28 111.029 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.63 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.565 -0.743 . . . . 2.46 110.6 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -94.95 21.19 7.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 2.89 110.961 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.25 117.92 63.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 1.43 110.775 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.98 108.01 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.325 2.016 . . . . 1.67 111.856 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.89 -147.08 18.51 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.562 -0.745 . . . . 0.91 112.458 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.79 134.41 34.79 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.999 2.466 . . . . 1.19 112.031 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.28 138.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 2.13 111.134 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.74 111.73 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 3.02 109.332 175.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -109.45 126.79 66.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.004 0.431 . . . . 1.87 111.177 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 tp -118.66 131.01 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.768 -0.651 . . . . 1.91 110.497 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.04 125.35 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.441 . . . . 1.67 109.984 175.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HB3' HG22 ' A' ' 109' ' ' VAL . 3.5 mm? -104.01 100.27 10.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.014 -0.539 . . . . 2.09 110.727 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.2 mt -84.34 99.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 2.06 109.334 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -76.44 133.12 39.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.161 -0.472 . . . . 2.46 111.806 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.05 -164.61 48.26 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 121.018 -0.611 . . . . 1.49 112.575 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 p -83.79 126.9 33.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.727 0.299 . . . . 2.51 110.714 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.27 123.87 28.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.898 -0.408 . . . . 1.45 109.898 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.19 150.51 84.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 2.07 110.402 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.42 -51.27 8.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.388 2.726 . . . . 1.57 113.713 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -75.83 -32.14 59.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.834 0.35 . . . . 2.43 110.913 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.83 -33.98 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.917 -0.583 . . . . 2.37 109.967 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 89' ' ' LYS . 5.8 ttpm? -68.64 -33.58 74.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 3.31 110.115 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -69.82 -42.0 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.74 110.464 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 74.2 mmtt -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 2.79 110.216 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.52 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.551 -0.75 . . . . 1.31 110.505 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.99 -50.9 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 2.86 110.248 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -65.23 -41.63 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.881 -0.599 . . . . 3.33 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . . . -61.74 -49.27 77.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 1.2 110.62 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 1.25 111.685 -177.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -43.01 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.348 0.594 . . . . 2.62 109.991 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.522 ' HB2' HH22 ' A' ' 61' ' ' ARG . 7.4 mm-40 -77.94 -32.08 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 2.66 111.166 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.85 -29.54 61.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 1.18 111.739 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 44.7 mtm180 -64.23 -21.29 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 4.33 110.563 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -71.25 -13.77 62.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.84 -0.618 . . . . 3.62 110.381 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -119.72 22.91 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 3.63 111.016 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 103' ' ' ASN . 1.0 OUTLIER 69.44 31.39 3.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.764 -0.653 . . . . 2.49 112.244 177.086 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.31 133.08 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.399 . . . . 1.56 109.921 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -120.7 132.09 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.381 -0.372 . . . . 4.67 110.329 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.52 141.38 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.304 -0.407 . . . . 2.17 110.106 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 118' ' ' TRP . 99.5 mtt180 -142.44 130.71 22.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.395 -0.366 . . . . 3.48 110.293 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.0 m -82.99 122.55 28.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 1.4 110.403 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.504 HG12 ' CE3' ' A' ' 118' ' ' TRP . 0.1 OUTLIER -99.41 109.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.183 -0.462 . . . . 2.18 110.677 -174.55 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 p -84.61 -38.42 19.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.152 -0.476 . . . . 1.97 111.879 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -122.88 132.9 24.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.383 -0.371 . . . . 1.95 110.795 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.22 -35.99 82.44 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.452 2.768 . . . . 1.29 113.271 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 29.2 t70 -65.81 -38.46 89.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.421 0.629 . . . . 2.48 110.315 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 2.7 tp10 -73.9 -22.96 59.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.315 -0.857 . . . . 2.7 110.325 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.67 -39.62 77.5 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.151 0.501 . . . . 1.32 110.017 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 113' ' ' ASP . 21.8 ttpp -54.61 -46.65 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 2.84 110.492 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 117' ' ' ARG . 23.7 ttm-85 -65.08 -45.74 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 4.3 110.456 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.504 ' CE3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -52.72 -45.71 67.06 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.865 -0.607 . . . . 4.07 111.681 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.91 -46.18 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.911 0.386 . . . . 1.44 110.492 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.49 -42.18 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 3.15 111.027 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.95 -42.38 90.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.406 . . . . 2.57 111.472 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -75.78 -34.7 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.897 0.379 . . . . 3.77 111.334 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.9 t -78.04 -29.38 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.463 -0.335 . . . . 1.87 111.083 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.23 -38.83 20.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 4.14 111.266 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 6.29 110.851 -178.202 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.323 0.582 . . . . 3.54 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -85.75 100.49 12.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.83 -0.623 . . . . 3.78 110.57 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.08 116.4 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.91 0.386 . . . . 2.32 110.018 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.22 138.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.034 -0.53 . . . . 1.2 110.833 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.47 124.22 54.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.269 -0.423 . . . . 1.16 110.619 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.6 mp -113.09 138.43 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.051 -0.722 . . . . 1.92 109.051 171.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.27 128.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.928 -0.397 . . . . 1.93 109.928 -176.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.98 95.34 3.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.691 -0.232 . . . . 1.75 110.614 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.524 ' OG ' ' HB ' ' A' ' 81' ' ' THR . 49.1 m -171.21 158.8 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.519 -0.919 . . . . 3.47 108.519 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -127.92 81.54 2.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.881 -0.728 . . . . 5.35 109.481 168.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 31.1 t70 -127.28 123.1 35.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.764 -1.107 . . . . 2.29 108.832 171.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.65 -27.41 69.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.721 0.296 . . . . 4.11 111.691 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.558 ' HB3' ' HZ3' ' A' ' 33' ' ' LYS . 6.1 ttpm? -77.33 -53.99 7.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 3.66 110.527 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 43.7 tp -59.17 -53.55 57.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.98 111.971 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.22 -44.81 88.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.618 -0.265 . . . . 1.68 111.351 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.6 mm-40 -66.68 -48.17 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 2.42 111.064 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.64 -41.11 89.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.864 0.364 . . . . 2.53 110.549 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.3 97.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 1.23 110.743 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 3.24 110.474 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.6 mmtp -56.28 -45.9 79.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.643 -0.503 . . . . 2.95 109.643 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.5 mmm -63.94 -43.05 97.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 3.09 111.359 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.53 87.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.721 -0.218 . . . . 1.39 111.026 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -67.85 -36.04 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.574 0.226 . . . . 2.57 110.889 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.6 mttm -66.48 -40.68 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 3.4 110.918 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.02 9.45 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.28 112.147 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 55.93 41.74 29.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.966 -0.561 . . . . 2.82 112.182 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.8 mt -98.24 152.41 19.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.526 . . . . 1.77 110.223 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.19 99.41 12.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.995 -0.743 . . . . 2.13 108.995 172.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tt -95.99 119.1 33.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.537 -0.542 . . . . 2.03 109.537 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.3 mt -111.48 112.21 39.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.728 -0.669 . . . . 1.95 110.101 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -89.05 98.41 11.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.64 -0.709 . . . . 1.86 110.804 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.5 82.51 51.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 2.44 110.668 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.2 102.74 0.31 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.245 1.964 . . . . 3.15 112.587 166.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.59 -51.49 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.002 -1.571 . . . . 2.89 111.117 162.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 38.5 m -118.64 156.73 51.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.263 -0.643 . . . . 1.96 109.263 166.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.527 ' O ' HG12 ' A' ' 60' ' ' ILE . 53.8 Cg_exo -56.07 -52.5 7.16 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.685 1.59 . . . . 1.5 111.061 169.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.58 -23.73 66.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.554 -0.748 . . . . 2.7 111.713 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 21.4 tt0 -59.59 -54.34 47.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.618 -0.264 . . . . 2.3 111.593 -174.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.748 -0.205 . . . . 1.43 110.944 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 56' ' ' PRO . 24.9 mm -61.56 -49.18 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.47 0.652 . . . . 1.65 110.164 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -66.94 -37.26 83.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.312 -0.858 . . . . 3.82 110.533 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.74 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 1.82 110.695 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.4 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 1.23 110.817 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.595 HE22 ' HG3' ' A' ' 98' ' ' GLU . 34.2 tt0 -64.42 -41.44 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.763 -0.653 . . . . 2.65 110.721 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.22 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 2.21 110.233 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 HD13 HD13 ' A' ' 26' ' ' LEU . 67.2 mt -62.99 -35.34 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 1.23 110.941 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 1.28 111.024 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.18 -30.99 71.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.973 -0.558 . . . . 2.46 110.563 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -95.55 10.22 37.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 2.89 111.441 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.72 42.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 1.43 110.834 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.09 107.0 1.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 121.91 1.74 . . . . 1.67 112.108 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.92 -128.93 12.44 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.664 -0.698 . . . . 0.91 112.975 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.51 129.4 17.8 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.727 2.285 . . . . 1.19 112.365 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.31 143.83 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.479 . . . . 2.13 110.676 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -137.91 107.82 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.229 -0.656 . . . . 3.02 109.229 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.9 t -107.97 140.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 1.87 111.452 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD11 ' O ' ' A' ' 105' ' ' ARG . 61.2 tp -128.2 133.12 48.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.732 -0.667 . . . . 1.91 109.852 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 21.8 t -116.8 129.58 73.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.982 0.42 . . . . 1.67 110.329 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 79' ' ' LEU . 3.0 mm? -108.69 119.82 40.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.685 -0.689 . . . . 2.09 110.525 -177.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 80' ' ' ILE . 4.4 mp -113.41 99.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.592 -0.521 . . . . 2.06 109.592 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.524 ' HB ' ' OG ' ' A' ' 29' ' ' SER . 11.8 m -86.78 132.57 33.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.765 0.317 . . . . 2.46 110.719 -178.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.78 -163.34 12.33 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.872 -0.68 . . . . 1.49 111.965 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.3 m -110.84 105.04 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.84 0.352 . . . . 2.51 110.838 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.71 128.37 35.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.181 -0.463 . . . . 1.45 110.542 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.28 140.15 97.66 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 2.07 110.525 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -41.11 -49.35 4.65 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.762 2.974 . . . . 1.57 113.9 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 2.0 m-20 -56.2 -53.81 52.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.78 0.324 . . . . 2.43 111.114 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.6 -31.07 68.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 2.37 111.027 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.54 -25.2 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.155 0.503 . . . . 3.31 110.079 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.8 m -84.21 -35.75 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 1.74 110.11 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 75.5 mmtt -63.9 -46.83 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.489 . . . . 2.79 110.183 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.692 -0.685 . . . . 1.31 110.241 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.9 -51.12 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.549 . . . . 2.86 111.094 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.02 -43.55 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 3.33 109.873 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.03 84.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 1.2 110.876 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.82 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 1.25 111.309 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.6 -31.86 72.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.976 0.417 . . . . 2.62 110.563 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.595 ' HG3' HE22 ' A' ' 64' ' ' GLN . 16.5 tp10 -72.17 -35.28 68.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.944 -0.571 . . . . 2.66 110.174 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.88 -13.65 47.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 1.18 111.448 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.39 -38.89 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 4.33 111.634 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -74.11 -4.01 33.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 3.62 111.59 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -103.16 20.72 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.996 0.427 . . . . 3.63 110.081 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.08 34.86 16.17 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.315 -0.857 . . . . 2.49 110.499 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.8 t -101.69 131.99 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.611 -0.722 . . . . 1.56 110.292 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.437 ' O ' HD11 ' A' ' 77' ' ' LEU . 30.5 mmm180 -119.53 133.2 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.389 -0.369 . . . . 4.67 110.14 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.5 m -123.16 134.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.174 -0.466 . . . . 2.17 110.048 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -151.01 147.61 27.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 3.48 111.834 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 94.5 m -82.5 135.79 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 1.4 110.466 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.92 129.42 57.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.888 -0.596 . . . . 2.18 110.043 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -85.48 -31.12 22.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 1.97 111.372 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -161.7 145.89 9.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.342 -0.614 . . . . 1.95 109.342 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -40.49 -40.1 3.08 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.435 2.757 . . . . 1.29 113.732 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.69 -41.56 43.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.62 -0.718 . . . . 2.48 111.411 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.65 -45.25 75.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.778 -0.646 . . . . 2.7 110.341 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.43 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 1.32 110.552 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.16 -38.38 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.598 -0.728 . . . . 2.84 109.824 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.26 -46.03 90.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.589 . . . . 4.3 110.852 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -66.02 -39.84 90.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.398 -0.365 . . . . 4.07 111.107 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 -41.82 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.991 0.424 . . . . 1.44 110.095 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HZ1' ' HB3' ' A' ' 120' ' ' LYS . 8.5 mtpm? -66.6 -48.19 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 3.15 111.038 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.15 -42.82 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 2.57 111.868 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.45 -29.88 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.571 0.224 . . . . 3.77 111.36 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -81.39 -43.98 18.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.061 0.458 . . . . 1.87 109.867 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 72.1 -54.99 0.68 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.687 -1.142 . . . . 4.14 111.728 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.068 -0.968 . . . . 6.29 110.545 178.225 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.202 -0.295 . . . . 3.54 110.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -88.01 98.07 11.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 3.78 110.217 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 47' ' ' LEU . 2.7 mm? -89.87 130.94 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.2 -0.455 . . . . 2.32 110.275 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.47 127.03 69.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 1.2 110.403 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 60.4 t -116.24 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.222 -0.445 . . . . 1.16 110.126 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD23 ' HB ' ' A' ' 50' ' ' ILE . 64.7 mt -119.13 109.53 15.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.341 0.591 . . . . 1.92 109.897 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -107.31 128.01 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.34 -0.846 . . . . 1.93 111.099 -171.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -109.45 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 1.75 110.18 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.422 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 5.6 t -174.23 140.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.857 -0.794 . . . . 3.47 108.857 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.05 83.25 1.96 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.878 -0.729 . . . . 5.35 109.687 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -125.16 166.75 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.011 -0.995 . . . . 2.29 109.607 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -91.83 -69.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.581 -0.448 . . . . 4.11 110.812 174.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.92 -22.7 66.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.203 0.445 . . . . 3.66 112.203 -172.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -80.02 -33.49 39.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.752 -0.462 . . . . 1.98 109.752 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.17 -47.76 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 1.68 111.093 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.3 mt-10 -58.32 -51.01 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 2.42 111.437 -177.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -36.61 79.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.45 -0.341 . . . . 2.53 111.223 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.68 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 1.23 110.106 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.45 -48.32 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.423 -0.808 . . . . 3.24 110.838 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.2 mttp -60.43 -52.49 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 2.95 110.951 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.6 mmm -60.49 -36.17 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 3.09 111.278 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.42 59.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 1.39 111.913 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.03 -32.14 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.595 -0.442 . . . . 2.57 110.909 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -76.21 -19.42 58.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 3.4 110.625 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.59 10.66 39.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.28 110.771 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 61.01 43.95 10.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.581 -0.736 . . . . 2.82 111.324 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 23' ' ' LEU . 37.5 mt -109.89 155.79 21.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.77 109.967 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -99.61 99.23 10.06 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.344 -0.613 . . . . 2.13 109.344 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.2 tt -111.64 128.09 55.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.087 0.47 . . . . 2.03 110.773 -176.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.8 mt -123.18 133.21 69.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.781 . . . . 1.95 110.093 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.2 p -82.65 110.37 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.134 0.492 . . . . 1.86 110.208 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.557 HG11 ' O ' ' A' ' 53' ' ' PRO . 62.9 t -87.33 145.55 37.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 2.44 111.067 -175.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.557 ' O ' HG11 ' A' ' 52' ' ' VAL . 7.0 Cg_endo -49.99 161.32 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.021 2.481 . . . . 3.15 111.564 168.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.64 12.46 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 115.554 0.982 . . . . 2.89 115.554 -167.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.438 ' HB2' ' CG ' ' A' ' 58' ' ' GLU . 36.9 m -104.7 134.01 19.88 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 118.063 0.931 . . . . 1.96 110.399 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HG3' ' HB3' ' A' ' 88' ' ' GLU . 71.5 Cg_endo -71.68 -36.96 5.77 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.038 2.492 . . . . 1.5 113.248 -173.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.07 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 2.7 110.977 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 8.7 mm-40 -61.01 -43.67 98.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 2.3 110.349 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.52 83.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.102 -0.499 . . . . 1.43 111.023 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -65.48 -48.83 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.274 0.559 . . . . 1.65 110.575 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -76.9 -14.6 59.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 3.82 111.029 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -77.43 -42.44 36.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.439 -0.949 . . . . 1.82 108.439 171.641 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 1.23 110.5 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -57.5 -37.06 72.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.617 -0.719 . . . . 2.65 110.761 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -73.86 -33.72 64.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 2.21 110.626 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -85.52 -52.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.443 -0.344 . . . . 1.23 111.912 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.81 87.38 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.8 0.667 . . . . 1.28 112.8 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.21 -35.45 77.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.085 0.469 . . . . 2.46 110.764 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -85.82 2.42 45.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.37 -0.377 . . . . 2.89 111.399 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.83 118.44 66.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.493 -0.322 . . . . 1.43 110.765 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -82.56 108.67 1.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.199 1.932 . . . . 1.67 111.584 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.25 -174.68 19.89 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.91 111.91 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -72.43 118.89 5.81 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.787 2.325 . . . . 1.19 111.794 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.53 144.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.166 0.507 . . . . 2.13 111.448 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -143.28 140.17 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 3.02 108.948 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 139.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.365 -0.38 . . . . 1.87 110.76 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.21 121.37 44.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.317 -0.623 . . . . 1.91 109.317 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.446 ' HB ' HG21 ' A' ' 106' ' ' VAL . 86.1 t -103.7 122.88 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.011 0.434 . . . . 1.67 110.095 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.626 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.2 mm? -115.1 108.35 16.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.763 -0.653 . . . . 2.09 111.177 -174.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.4 121.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.019 -0.734 . . . . 2.06 109.019 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 8.6 m -106.88 128.5 54.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.321 -0.399 . . . . 2.46 110.711 -175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.0 -158.03 15.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.745 -0.741 . . . . 1.49 111.903 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -92.93 127.22 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.338 -0.245 . . . . 2.51 110.338 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.02 128.82 39.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 1.45 110.897 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.91 135.79 96.45 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 2.07 109.967 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.51 -50.31 4.73 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.444 2.763 . . . . 1.57 113.967 -175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.07 -44.65 72.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.857 0.361 . . . . 2.43 110.658 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' HB3' ' HG3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -64.98 -36.52 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 2.37 110.856 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.22 -0.445 . . . . 3.31 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.6 m -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.808 -0.633 . . . . 1.74 110.502 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -64.11 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 2.79 111.281 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.06 -46.49 67.71 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.154 -0.476 . . . . 1.31 110.198 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 20.0 pttp -73.07 -31.95 64.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.116 -0.493 . . . . 2.86 110.772 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -50.16 64.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 3.33 109.843 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.89 72.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 1.2 110.451 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 1.25 111.402 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 41.6 mt-10 -69.89 -22.14 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 2.62 111.153 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.191 0.52 . . . . 2.66 109.837 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.65 62.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 1.18 112.468 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -16.02 60.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 4.33 111.03 -179.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -60.94 -33.67 73.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.19 0.519 . . . . 3.62 110.397 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.33 20.38 11.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 3.63 110.191 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 63.46 38.91 9.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.31 -0.859 . . . . 2.49 111.283 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.81 114.11 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 1.56 110.034 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -107.36 131.34 54.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.163 -0.472 . . . . 4.67 110.21 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 78' ' ' VAL . 19.0 t -117.08 130.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.252 -0.431 . . . . 2.17 110.392 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.87 158.13 43.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.94 0.4 . . . . 3.48 111.199 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.2 m -101.54 128.91 47.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.613 -0.721 . . . . 1.4 110.624 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 m -114.59 141.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.997 0.427 . . . . 2.18 110.155 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -113.69 -22.95 9.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.125 -0.489 . . . . 1.97 111.595 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.0 p -126.79 146.82 58.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 1.95 111.178 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.62 -23.24 74.65 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.934 2.423 . . . . 1.29 111.569 173.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 6.0 m-20 -63.37 -47.01 83.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.845 -0.616 . . . . 2.48 109.845 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.22 -37.56 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.274 -0.875 . . . . 2.7 109.613 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.789 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -56.96 -53.23 60.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.291 -0.868 . . . . 1.32 111.95 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 23.1 pttp -65.53 -20.34 66.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.677 0.275 . . . . 2.84 111.445 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -79.35 -48.12 14.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.072 -0.251 . . . . 4.3 111.385 -178.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.789 ' NE1' ' HA ' ' A' ' 115' ' ' ALA . 29.5 p-90 -66.53 -26.5 67.17 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.839 -0.744 . . . . 4.07 110.933 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 115' ' ' ALA . 69.5 mt -60.04 -55.58 23.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.707 0.289 . . . . 1.44 110.842 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.33 -35.45 79.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 3.15 110.706 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.06 -26.58 61.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.57 111.095 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -90.5 -18.9 24.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 3.77 110.878 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.7 t -69.97 -34.93 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 1.87 110.935 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -98.21 174.96 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.408 -0.36 . . . . 4.14 110.226 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 6.29 111.101 -179.36 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.83 0.348 . . . . 3.54 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 2.1 mmp_? -95.55 89.97 5.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.426 -0.583 . . . . 3.78 109.426 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.2 mt -89.27 99.5 12.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.516 . . . . 2.32 109.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.04 131.69 49.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.2 110.71 -176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.2 t -119.33 133.75 65.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.782 -0.644 . . . . 1.16 109.407 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -121.63 133.41 54.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.159 -0.312 . . . . 1.92 110.159 178.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -124.02 140.48 47.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.983 0.421 . . . . 1.93 110.471 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.04 135.14 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 1.75 110.263 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.5 m -59.91 139.63 57.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.316 0.579 . . . . 3.47 111.715 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.502 ' H ' HD12 ' A' ' 35' ' ' ILE . 60.5 t30 -172.07 -172.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.644 -1.243 . . . . 5.35 107.644 -174.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' H ' ' CG ' ' A' ' 30' ' ' ASN . 13.2 t70 -41.75 133.93 2.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.101 0.477 . . . . 2.29 110.602 174.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -22.58 63.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 4.11 112.918 -170.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -67.54 -37.6 82.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.943 0.401 . . . . 3.66 110.28 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 HD21 ' A' ' 30' ' ' ASN . 6.9 tp -70.07 -45.83 66.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 1.98 110.36 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 30' ' ' ASN . 65.5 mt -61.32 -41.53 90.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.661 -0.7 . . . . 1.68 110.281 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.45 -40.45 89.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.535 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 13.5 tp10 -60.4 -47.46 85.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 2.53 110.214 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.99 94.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.494 . . . . 1.23 110.588 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.73 -52.85 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 3.24 110.862 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 50.6 mtmt -48.33 -52.93 19.31 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.555 0.534 . . . . 2.95 111.688 177.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.28 -42.89 65.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.195 -0.457 . . . . 3.09 112.024 -173.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.45 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.694 0.283 . . . . 1.39 111.028 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -38.34 83.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.352 -0.385 . . . . 2.57 110.882 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.69 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 3.4 110.577 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.67 2.26 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 1.28 111.191 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 66.18 33.05 7.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.851 -0.613 . . . . 2.82 111.509 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.51 145.06 24.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.947 -0.57 . . . . 1.77 109.544 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.54 99.45 10.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.026 0.441 . . . . 2.13 110.028 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 59.7 tp -97.85 127.47 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 2.03 111.537 -175.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.97 129.84 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 1.95 109.771 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.3 p -88.05 128.14 35.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.461 . . . . 1.86 111.023 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 53' ' ' PRO . 19.4 t -114.76 146.68 36.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 2.44 110.606 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG13 ' A' ' 52' ' ' VAL . 6.8 Cg_endo -48.37 160.44 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.245 2.63 . . . . 3.15 112.312 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.23 -4.78 31.28 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.359 -0.837 . . . . 2.89 114.801 -169.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 m -90.18 118.74 69.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 117.478 0.639 . . . . 1.96 110.711 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -54.51 -26.85 47.19 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.526 2.817 . . . . 1.5 112.809 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.12 -48.54 64.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.456 -0.793 . . . . 2.7 111.089 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -81.09 -27.43 35.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.657 . . . . 2.3 111.375 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' CA ' HG11 ' A' ' 52' ' ' VAL . . . -58.4 -52.14 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.987 0.422 . . . . 1.43 111.187 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.43 -36.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 1.65 110.485 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 -69.34 -30.58 68.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 3.82 110.437 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.526 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -72.69 -43.12 63.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.383 -0.599 . . . . 1.82 109.383 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.43 81.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 1.23 111.232 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.61 -37.98 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 2.65 110.689 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.35 -49.48 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 2.21 110.596 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.92 -42.45 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 120.909 -0.317 . . . . 1.23 111.147 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' CB ' ' HB3' ' A' ' 102' ' ' TRP . . . -66.64 -34.88 78.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.946 0.403 . . . . 1.28 111.389 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -71.21 -38.38 72.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 2.46 110.467 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HB3' ' HZ1' ' A' ' 69' ' ' LYS . 2.6 mmmp? -96.67 20.08 11.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.947 -0.569 . . . . 2.89 111.425 -175.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.38 120.92 55.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.274 -0.421 . . . . 1.43 111.009 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.24 107.96 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.184 1.922 . . . . 1.67 111.86 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.27 -171.3 13.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.994 -0.622 . . . . 0.91 111.801 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.76 119.56 6.6 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.487 2.125 . . . . 1.19 111.553 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.22 143.17 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.99 0.424 . . . . 2.13 111.278 -175.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -150.6 127.31 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.348 -0.612 . . . . 3.02 109.348 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 t -111.19 139.73 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.047 0.451 . . . . 1.87 111.661 -170.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -115.27 124.21 50.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.719 -0.673 . . . . 1.91 109.76 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.37 119.62 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 1.67 110.637 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.1 mm? -96.17 99.79 11.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.769 -0.65 . . . . 2.09 110.041 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.7 pt -90.62 138.06 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.541 -0.54 . . . . 2.06 109.541 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -125.77 154.47 42.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.839 0.352 . . . . 2.46 111.03 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.42 178.15 51.36 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.863 -0.608 . . . . 1.49 112.173 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 m -90.09 99.46 12.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.712 -0.477 . . . . 2.51 109.712 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.52 7.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.78 -0.645 . . . . 1.45 110.46 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -66.09 150.82 96.37 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 2.07 110.146 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.83 -45.27 6.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.762 2.974 . . . . 1.57 114.002 -174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.85 -50.75 72.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 2.43 111.329 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.38 -34.55 63.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.639 -0.255 . . . . 2.37 111.197 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.99 -48.65 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 3.31 110.755 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.0 m -64.99 -37.15 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.74 110.561 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -66.51 -38.35 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 2.79 110.144 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.56 73.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.136 -0.484 . . . . 1.31 110.1 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -65.38 -44.64 86.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 2.86 111.002 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -64.43 -42.5 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.854 0.359 . . . . 3.33 110.154 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.0 97.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 1.2 110.476 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 1.25 110.968 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.97 -41.69 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 2.62 110.011 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -73.59 -48.51 32.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.78 -0.646 . . . . 2.66 110.973 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.401 ' HA ' ' CE3' ' A' ' 102' ' ' TRP . . . -72.0 -13.51 61.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 1.18 112.176 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.36 -29.48 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.91 0.386 . . . . 4.33 111.333 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -63.85 -16.44 61.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.037 -0.529 . . . . 3.62 111.406 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 67' ' ' ALA . 25.5 m-90 -103.4 11.02 37.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.674 0.273 . . . . 3.63 111.492 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 63.43 65.54 0.75 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.726 -0.67 . . . . 2.49 110.714 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.66 135.33 59.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.914 -0.585 . . . . 1.56 109.916 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -120.67 120.68 36.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 4.67 110.326 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 m -95.72 129.72 45.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.168 -0.469 . . . . 2.17 110.142 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -137.17 151.57 48.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.068 -0.345 . . . . 3.48 110.068 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.3 m -96.98 130.78 44.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 1.4 111.482 -175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.53 109.45 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 2.18 110.718 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.7 p -84.7 -40.18 17.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 1.97 110.534 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -126.38 160.83 55.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.725 -0.671 . . . . 1.95 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.5 -28.3 73.08 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.344 2.029 . . . . 1.29 111.724 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.25 -34.92 64.44 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.691 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.74 -48.1 41.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.576 -0.738 . . . . 2.7 110.121 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.0 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 1.32 110.491 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.8 -48.13 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 2.84 111.309 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 118' ' ' TRP . 12.4 ptm180 -72.39 -39.9 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 4.3 111.539 -175.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.485 ' N ' ' HG3' ' A' ' 117' ' ' ARG . 6.6 m95 -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.439 -0.504 . . . . 4.07 110.651 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.51 -32.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.063 -0.517 . . . . 1.44 110.515 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.95 -42.05 34.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.475 . . . . 3.15 110.883 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.31 -30.47 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.52 . . . . 2.57 111.727 -174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -84.57 -37.15 21.54 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.003 -0.279 . . . . 3.77 111.558 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 p -69.6 -38.4 77.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.178 -0.209 . . . . 1.87 110.72 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 53.53 52.65 12.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.474 0.654 . . . . 4.14 110.757 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.186 -0.916 . . . . 6.29 108.992 178.702 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 2.6 tpm_? . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.734 -0.469 . . . . 3.31 109.734 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 47' ' ' LEU . 6.1 mp -107.62 138.06 44.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.0 -0.37 . . . . 1.76 110.0 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.3 136.64 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.649 -0.705 . . . . 0.46 110.352 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.6 t -124.18 117.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.613 -0.514 . . . . 0.52 109.613 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 ' HB ' ' A' ' 50' ' ' ILE . 37.4 mt -112.13 116.13 29.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.177 -0.465 . . . . 1.33 110.008 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.1 tt -105.88 126.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.03 -0.532 . . . . 1.36 111.028 -173.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 55.7 t -102.35 96.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.922 -0.581 . . . . 1.37 110.286 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -174.13 173.83 3.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 3.23 110.314 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -136.06 83.16 1.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.148 -1.056 . . . . 4.58 108.148 167.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 24.6 t70 -126.43 168.65 13.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 2.29 110.348 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.5 mppt? -91.57 -69.38 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.772 -0.371 . . . . 3.77 110.446 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.14 -44.46 94.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.731 -0.668 . . . . 3.23 112.326 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 37.2 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 1.39 110.726 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.74 -34.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 0.97 110.554 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 43.7 mt-10 -58.77 -62.61 1.74 Allowed 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.119 -0.326 . . . . 2.42 110.119 173.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.28 -35.55 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 2.53 111.52 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -49.66 63.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.659 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 74.1 ttt180 -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 2.73 111.19 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.19 -36.12 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.03 0.443 . . . . 2.52 110.621 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.475 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 92.8 mmm -67.19 -46.74 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.902 -0.59 . . . . 2.61 110.181 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.75 111.842 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 78.1 mm-40 -58.99 -44.85 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 2.57 111.149 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.53 -10.94 59.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.3 -0.409 . . . . 2.98 111.822 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -119.06 22.57 11.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.704 -0.225 . . . . 0.76 110.935 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 38.72 48.1 1.27 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.041 1.336 . . . . 2.22 113.207 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' ' 23' ' ' LEU . 67.6 mt -101.57 144.99 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.56 -0.746 . . . . 1.11 109.603 177.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.9 98.44 10.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.671 -0.492 . . . . 2.13 109.671 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.4 tt -110.13 124.71 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.043 0.449 . . . . 1.49 110.487 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' HD23 ' A' ' 26' ' ' LEU . 65.9 mt -120.61 134.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.49 -0.777 . . . . 1.31 110.258 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -81.5 121.98 26.97 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.889 -0.596 . . . . 1.2 111.345 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 53' ' ' PRO . 70.9 t -109.29 142.07 24.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.969 -0.56 . . . . 1.95 110.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.601 ' O ' HG12 ' A' ' 52' ' ' VAL . 10.6 Cg_endo -54.64 161.03 6.37 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.765 2.31 . . . . 2.29 111.534 169.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.39 13.58 0.17 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.53 0.972 . . . . 2.14 115.53 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 p -100.83 129.55 27.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.916 0.858 . . . . 1.75 110.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.46 -34.56 12.03 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.356 2.704 . . . . 1.09 113.921 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -65.57 -38.77 90.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 2.7 110.501 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.27 -45.75 76.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.605 -0.725 . . . . 2.3 110.706 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -64.27 -50.42 68.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.725 -0.67 . . . . 0.78 111.755 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' HB1' ' A' ' 95' ' ' ALA . 45.0 mm -65.5 -40.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 1.03 111.174 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -66.1 -31.49 72.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.049 -0.26 . . . . 3.35 110.618 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.68 -37.68 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.804 -0.443 . . . . 1.22 109.804 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.19 86.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.49 110.399 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.87 -42.04 88.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.777 -0.647 . . . . 2.12 110.474 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 56.6 mm-40 -66.89 -50.76 61.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.378 . . . . 2.21 110.941 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 26' ' ' LEU . 66.9 mt -58.08 -44.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.693 -0.231 . . . . 0.66 111.203 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.82 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.63 110.934 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -58.03 -53.04 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 2.46 111.145 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.9 mttm -85.91 12.84 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.649 -0.705 . . . . 2.41 111.223 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 126.07 56.59 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.267 -0.424 . . . . 0.78 111.069 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.32 107.98 2.57 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.971 1.781 . . . . 1.34 111.038 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.64 -166.04 24.99 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.73 -0.748 . . . . 0.77 112.299 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -79.61 136.17 12.09 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.135 2.557 . . . . 0.9 112.461 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 22' ' ' ARG . 12.8 m -130.49 163.17 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 1.5 110.789 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -129.37 118.54 22.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.975 -0.75 . . . . 2.58 108.975 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.554 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.3 t -112.11 128.45 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.153 0.501 . . . . 1.16 111.326 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.78 127.12 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.648 -0.706 . . . . 1.35 109.862 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 60' ' ' ILE . 58.0 t -112.43 129.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.02 -0.363 . . . . 1.01 110.02 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -117.49 110.69 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.73 0.3 . . . . 1.37 111.132 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 66.4 mt -93.57 127.08 45.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.653 -0.499 . . . . 1.4 109.653 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 20.5 m -97.7 132.81 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.086 0.402 . . . . 2.07 112.086 -174.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.6 -151.04 26.12 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.73 -0.668 . . . . 1.09 113.054 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 t -96.7 138.36 34.38 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.017 -0.364 . . . . 2.22 110.017 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.66 130.59 46.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.215 -0.448 . . . . 1.13 110.367 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.48 158.19 74.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.942 -0.392 . . . . 2.07 109.942 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.7 -48.45 12.18 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.935 2.423 . . . . 1.3 112.02 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.72 -48.92 78.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 2.43 110.987 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.99 -42.32 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 2.37 110.459 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.12 -38.28 87.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.65 -0.705 . . . . 2.81 110.472 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -63.79 -42.73 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.33 110.091 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.04 -46.28 88.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 2.41 110.636 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.78 110.659 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -67.25 -53.76 27.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 2.44 110.637 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.95 -39.51 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 2.85 110.801 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -63.8 -44.54 92.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.31 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.51 78.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.787 0.327 . . . . 0.64 110.964 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.53 -44.94 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.341 -0.614 . . . . 2.62 109.341 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -70.85 -47.57 58.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.664 . . . . 2.66 110.481 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.724 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.84 -23.75 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.58 112.489 -175.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -55.74 -35.65 66.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 3.77 110.656 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -80.05 -11.4 59.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 3.24 110.974 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -100.95 11.73 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.005 -0.543 . . . . 2.65 109.941 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 63.14 42.84 6.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.21 -0.905 . . . . 2.0 110.299 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.724 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 22.0 t -117.97 136.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.99 109.92 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -125.29 136.36 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 4.06 110.271 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.53 128.88 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.073 -0.512 . . . . 1.58 110.694 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -128.31 151.3 49.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.737 0.304 . . . . 3.0 110.409 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -97.36 136.78 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.672 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.2 m -126.09 148.33 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.481 . . . . 1.51 110.373 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 p -120.57 -41.09 2.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.164 0.507 . . . . 1.55 110.753 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 49.5 m -120.53 158.11 52.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.654 . . . . 1.52 109.77 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.49 -19.89 66.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.631 2.221 . . . . 1.05 112.318 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.79 -43.76 87.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 2.48 110.46 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 8.2 mp0 -66.29 -47.17 74.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 2.7 110.536 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.23 -50.64 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.7 110.74 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.475 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 40.2 ttmt -56.76 -40.46 75.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.615 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.502 ' HD2' ' CZ3' ' A' ' 118' ' ' TRP . 38.5 ttm180 -65.06 -49.81 68.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 3.61 111.271 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.502 ' CZ3' ' HD2' ' A' ' 117' ' ' ARG . 2.2 m95 -63.72 -34.89 78.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.436 -0.347 . . . . 3.39 110.527 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.18 -35.22 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.196 -0.456 . . . . 0.81 110.35 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.88 -52.74 61.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 2.76 110.777 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.37 -35.28 80.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.108 0.48 . . . . 2.57 110.855 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -75.15 -25.06 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 3.02 111.022 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.2 t -59.53 -71.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.827 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 4.14 111.128 -177.39 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.032 0.444 . . . . 3.31 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' ' 47' ' ' LEU . 4.5 tt -104.86 128.04 52.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.85 -0.796 . . . . 1.76 108.85 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 66' ' ' ILE . 47.2 t -106.51 127.25 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.757 -0.656 . . . . 0.46 110.172 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.9 119.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.827 0.346 . . . . 0.52 110.874 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -105.75 109.79 21.87 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.18 -0.674 . . . . 1.33 109.18 173.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 138.23 38.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.689 -0.485 . . . . 1.36 109.689 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -87.8 129.66 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.216 -0.447 . . . . 1.37 109.94 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -58.76 150.92 22.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.869 -0.605 . . . . 3.23 112.278 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.675 ' ND2' HG21 ' A' ' 81' ' ' THR . 4.7 p30 -179.21 -170.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 4.58 107.968 -171.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -43.88 133.5 4.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.46 0.648 . . . . 2.29 111.186 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -53.25 -27.25 21.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.821 -1.082 . . . . 3.77 113.594 -172.769 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -61.73 -46.04 91.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.96 0.41 . . . . 3.23 111.129 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 30' ' ' ASN . 3.2 tm? -68.33 -42.24 79.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.39 110.309 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 30' ' ' ASN . 52.6 mt -62.11 -48.96 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.97 110.891 -178.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.09 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 2.42 111.436 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.78 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 2.53 110.304 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.35 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.61 110.361 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -60.93 -41.45 96.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 2.73 110.764 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.06 -47.14 87.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 2.52 110.91 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 92.7 mmm -63.65 -37.46 87.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 2.61 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.48 55.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.75 110.854 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.37 -19.05 61.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.323 . . . . 2.57 111.251 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -66.58 -41.38 88.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 2.98 110.363 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.82 43.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 0.76 111.057 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 61.64 49.16 5.17 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.451 -0.795 . . . . 2.22 111.466 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 23' ' ' LEU . 17.0 mt -105.58 159.06 16.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 1.11 109.871 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.84 113.05 24.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.318 -0.253 . . . . 2.13 110.318 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -115.72 140.74 48.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 1.49 111.088 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HD13 ' A' ' 26' ' ' LEU . 84.9 mt -130.8 131.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.556 -0.747 . . . . 1.31 109.819 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.9 m -93.02 109.71 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.425 . . . . 1.2 110.013 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 53' ' ' PRO . 6.2 m -89.0 168.98 14.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.526 . . . . 1.95 111.288 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.0 Cg_endo -54.64 159.47 8.73 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.613 2.208 . . . . 2.29 111.622 167.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.65 10.26 4.11 Favored Glycine 0 C--N 1.318 -0.428 0 CA-C-N 115.811 -0.631 . . . . 2.14 114.282 -173.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -100.04 137.31 20.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 117.412 0.606 . . . . 1.75 110.72 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.74 -27.38 21.88 Favored 'Trans proline' 0 N--CA 1.466 -0.106 0 C-N-CA 123.24 2.626 . . . . 1.09 112.379 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 11.2 tp10 -59.78 -56.61 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 2.7 110.14 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.21 -29.29 70.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.437 -0.801 . . . . 2.3 111.502 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -63.0 -48.52 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.78 111.006 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.8 -35.06 35.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.719 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 80.2 mtp180 -62.2 -39.06 91.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 3.35 110.506 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -52.26 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.22 109.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.76 -43.81 94.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.238 -0.892 . . . . 0.49 111.562 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -61.39 -37.2 82.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.544 -0.753 . . . . 2.12 110.681 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.04 -51.62 37.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 2.21 110.597 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 24' ' ' VAL . 64.4 mt -61.44 -42.2 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.66 111.434 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.15 94.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.972 0.415 . . . . 0.63 111.191 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -67.65 -45.33 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 2.46 110.625 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 18.93 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.693 -0.685 . . . . 2.41 111.56 -174.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.6 116.73 66.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.63 -0.259 . . . . 0.78 110.582 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.35 107.67 1.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.203 1.935 . . . . 1.34 111.738 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.32 -149.26 18.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.012 -0.614 . . . . 0.77 112.379 176.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.27 142.84 21.75 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.647 2.231 . . . . 0.9 111.957 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -153.72 144.4 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 1.5 110.55 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -128.57 123.96 34.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.502 -0.555 . . . . 2.58 109.502 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 63' ' ' ALA . 18.7 t -115.7 133.89 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.846 0.355 . . . . 1.16 110.98 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 105' ' ' ARG . 48.6 tp -119.43 130.35 55.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.901 -0.59 . . . . 1.35 109.72 177.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.92 127.53 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.681 0.277 . . . . 1.01 110.374 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.8 mm? -112.49 100.02 8.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 1.37 110.923 -176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -80.8 124.63 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.322 -0.622 . . . . 1.4 109.322 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.675 HG21 ' ND2' ' A' ' 30' ' ' ASN . 17.8 p -87.51 143.72 27.07 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 2.07 112.401 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 -136.66 15.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.571 -0.74 . . . . 1.09 111.988 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 141.49 45.42 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.56 -0.533 . . . . 2.22 109.56 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.66 109.76 21.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.913 0.387 . . . . 1.13 110.528 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 28.1 m-20 -72.18 161.65 77.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.78 -0.646 . . . . 2.07 110.258 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 85' ' ' ASP . 68.5 Cg_exo -42.31 -50.71 5.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.494 2.796 . . . . 1.3 114.348 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.99 -48.03 59.81 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.866 0.365 . . . . 2.43 110.836 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' OE1' ' HB2' ' A' ' 85' ' ' ASP . 5.7 mp0 -56.79 -43.4 80.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.784 -0.644 . . . . 2.37 110.667 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -65.88 -40.34 91.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.522 -0.763 . . . . 2.81 110.656 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.4 m -69.6 -42.49 74.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 1.33 110.976 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.493 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 97.5 mttt -62.29 -40.6 96.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 2.41 110.719 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.84 76.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.924 -0.58 . . . . 0.78 109.936 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 25.9 ttpp -61.43 -53.79 51.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 2.44 111.361 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 21.3 pttp -57.87 -36.3 72.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.907 0.384 . . . . 2.85 111.227 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.58 32.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.228 -0.442 . . . . 0.63 110.75 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.64 110.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 45.9 mt-10 -66.28 -29.89 70.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.225 -0.443 . . . . 2.62 110.391 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -76.56 -40.26 50.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 2.66 109.768 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.49 -14.18 60.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.725 -0.67 . . . . 0.58 111.527 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.21 -23.7 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 3.77 110.736 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.04 -16.46 61.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.9 -0.591 . . . . 3.24 111.261 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -119.25 12.12 12.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.093 0.473 . . . . 2.65 110.766 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 60.29 72.67 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.924 -1.035 . . . . 2.0 111.284 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.27 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.99 109.625 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.7 tpm_? -86.95 99.96 12.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.893 -0.594 . . . . 4.06 110.858 -173.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -94.68 135.69 28.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 1.58 110.186 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -150.06 163.8 37.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 3.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 m -101.89 132.09 47.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.201 -0.454 . . . . 0.86 111.276 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.1 t -113.89 113.29 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.511 -0.768 . . . . 1.51 110.289 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -101.57 -26.03 13.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.398 0.618 . . . . 1.55 109.829 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 13.3 p -128.33 137.66 31.35 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.584 -0.735 . . . . 1.52 110.07 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 53.7 Cg_exo -52.73 -27.83 35.46 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.635 2.89 . . . . 1.05 113.737 -177.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.15 -35.59 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 2.48 110.819 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.44 -57.06 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 2.7 110.583 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -53.25 -45.63 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.455 -0.338 . . . . 0.7 110.992 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -64.13 -36.98 85.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 2.33 111.442 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -80.91 -39.15 26.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.552 -0.459 . . . . 3.61 111.134 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -70.89 -37.6 73.0 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 111.601 0.223 . . . . 3.39 111.601 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.07 -39.63 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.094 0.473 . . . . 0.81 109.792 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -69.53 -41.14 76.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.841 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.94 -41.09 83.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.729 0.299 . . . . 2.57 111.17 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -73.59 -21.69 60.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.167 0.508 . . . . 3.02 110.324 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -87.28 -47.51 8.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 1.4 111.025 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 4.14 109.994 -173.818 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.466 ' NH2' ' HB2' ' A' ' 48' ' ' GLU . 26.5 tpt180 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.907 0.384 . . . . 3.31 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.59 124.0 50.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 1.76 109.458 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 48.5 t -121.05 147.22 25.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.46 110.664 -174.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 40.5 t -125.73 126.45 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.98 -0.378 . . . . 0.52 109.98 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -116.39 123.21 47.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.85 -0.426 . . . . 1.33 109.85 175.273 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 tt -120.54 147.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.156 -0.474 . . . . 1.36 110.426 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' ' 52' ' ' VAL . 62.2 t -88.25 134.04 29.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.251 -0.648 . . . . 1.37 109.251 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.6 m -60.11 114.9 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.481 . . . . 3.23 111.755 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 34' ' ' LEU . 6.1 t-20 -134.52 -171.35 2.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 4.58 108.565 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -46.64 145.09 2.0 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.571 0.701 . . . . 2.29 112.495 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -36.84 -51.97 0.91 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 113.965 -1.47 . . . . 3.77 114.667 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.93 -34.4 78.32 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.249 0.463 . . . . 3.23 112.249 -170.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 30' ' ' ASN . 63.0 tp -64.58 -46.81 81.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.833 0.349 . . . . 1.39 110.427 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -32.2 53.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.97 110.39 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 22.9 mm-40 -70.62 -63.44 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.496 . . . . 2.42 110.908 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.1 -41.53 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.001 0.371 . . . . 2.53 112.001 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.61 110.992 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 49' ' ' LEU . 36.0 ttt180 -77.44 -32.01 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.409 -0.359 . . . . 2.73 110.693 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 28.6 mtpp -65.2 -34.02 77.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.847 0.356 . . . . 2.52 110.405 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.9 mmm -70.22 -38.77 75.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 2.61 110.107 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 47' ' ' LEU . . . -63.61 -44.23 94.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.661 -0.7 . . . . 0.75 110.61 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.27 -27.22 68.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.576 . . . . 2.57 110.556 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.11 -59.87 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 2.98 110.901 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.71 20.2 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.308 0.484 . . . . 0.76 112.308 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 63.37 67.77 0.64 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.391 0.615 . . . . 2.22 111.372 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 42' ' ' ALA . 2.5 mm? -119.05 142.27 48.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.004 -0.544 . . . . 1.11 109.788 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 36.3 tt0 -88.63 103.49 15.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.125 -0.694 . . . . 2.13 109.125 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.629 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.3 tt -105.95 135.68 46.97 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.896 -0.322 . . . . 1.49 111.12 -174.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.36 134.14 67.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.647 -0.706 . . . . 1.31 110.191 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -92.43 128.14 38.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.592 -0.276 . . . . 1.2 110.786 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 53' ' ' PRO . 4.5 m -112.33 167.52 9.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.757 -0.201 . . . . 1.95 111.414 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.9 Cg_endo -55.39 160.52 8.69 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.002 2.468 . . . . 2.29 112.224 168.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.99 32.94 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.101 -0.954 . . . . 2.14 114.821 -172.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 m -91.6 132.23 33.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.641 0.721 . . . . 1.75 111.087 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' O ' HG12 ' A' ' 60' ' ' ILE . 63.2 Cg_endo -69.62 -24.63 30.12 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 123.06 2.507 . . . . 1.09 113.11 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.42 -37.54 86.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 2.7 110.643 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.02 -39.32 75.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 2.3 109.928 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -59.45 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.523 -0.762 . . . . 0.78 111.191 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 56' ' ' PRO . 31.7 mm -65.83 -48.49 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.29 -0.414 . . . . 1.03 110.912 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -61.88 -40.71 96.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 3.35 111.197 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.13 -49.92 73.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 1.22 109.485 177.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -64.72 -32.79 74.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.386 . . . . 0.49 111.624 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.18 -40.21 95.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.156 0.503 . . . . 2.12 109.736 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 49.8 mt-10 -71.33 -33.57 69.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.796 -0.638 . . . . 2.21 110.866 176.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.516 ' CG1' ' HA ' ' A' ' 63' ' ' ALA . 32.9 mm -49.59 -58.38 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 CA-C-O 120.872 0.368 . . . . 0.66 110.499 174.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 102' ' ' TRP . . . -66.82 -37.66 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.62 -0.718 . . . . 0.63 111.18 -178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.64 -33.85 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 2.46 111.234 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 65' ' ' GLU . 24.7 mttp -100.83 6.17 43.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 2.41 111.173 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.44 131.35 44.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.666 -0.243 . . . . 0.78 111.052 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -83.04 108.39 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.432 2.088 . . . . 1.34 112.336 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.08 -163.63 17.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.781 -0.723 . . . . 0.77 112.633 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.0 120.65 7.93 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.965 2.443 . . . . 0.9 111.673 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.52 142.86 37.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.255 -0.429 . . . . 1.5 111.385 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.42 136.9 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.706 -0.679 . . . . 2.58 109.476 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 5.8 p -128.82 133.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.229 0.538 . . . . 1.16 111.132 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.3 tp -103.83 123.85 47.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.594 -0.73 . . . . 1.35 110.33 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -103.76 120.4 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 1.01 110.238 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.9 mm? -99.87 103.53 15.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.207 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -83.97 117.75 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 1.4 109.64 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 30' ' ' ASN . 72.1 p -83.71 119.17 24.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 2.07 111.674 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.17 -177.24 47.5 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.889 -0.672 . . . . 1.09 112.225 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -85.89 130.12 34.64 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.069 -0.345 . . . . 2.22 110.069 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.91 115.66 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 1.13 110.804 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.52 160.59 75.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 2.07 110.571 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -37.56 -50.84 1.78 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.11 3.207 . . . . 1.3 115.288 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.48 -47.7 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.944 -0.302 . . . . 2.43 110.798 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.67 -42.46 92.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.313 0.578 . . . . 2.37 109.835 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.8 -39.44 91.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.086 -0.961 . . . . 2.81 109.998 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.7 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 1.33 110.821 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.35 -41.69 80.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 2.41 110.471 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.51 -45.08 61.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.78 111.454 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -62.18 -34.31 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.646 0.26 . . . . 2.44 111.577 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 24.0 tptm -79.69 -51.38 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.525 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.63 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.63 111.292 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -66.17 -29.49 69.78 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.64 110.955 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.02 -45.09 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.976 0.417 . . . . 2.62 109.993 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 22.6 mm-40 -65.94 -49.14 69.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 2.66 110.374 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -71.79 -16.9 62.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.58 111.99 -176.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 39.8 ttm180 -59.08 -27.17 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 3.77 111.323 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -62.18 -29.38 70.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.205 0.526 . . . . 3.24 110.392 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 76.3 m95 -90.28 18.82 5.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 2.65 110.551 -177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 66.62 29.68 8.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.816 -0.629 . . . . 2.0 111.28 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.426 HG21 ' HB1' ' A' ' 99' ' ' ALA . 98.3 t -82.77 111.97 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.99 109.683 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -104.67 130.97 52.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 4.06 109.946 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.3 m -109.82 126.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 1.58 111.234 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 4.1 mmp_? -129.48 142.45 50.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.199 -0.455 . . . . 3.0 110.128 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.2 m -90.47 129.44 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.86 110.426 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 115' ' ' ALA . 74.8 t -125.61 126.73 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.16 -0.473 . . . . 1.51 110.737 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.1 p -113.44 -26.94 8.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.975 0.417 . . . . 1.55 110.709 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.4 p -130.3 146.51 61.93 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-O 121.093 0.473 . . . . 1.52 110.446 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 13.0 Cg_endo -56.43 -26.62 63.96 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.895 3.064 . . . . 1.05 114.037 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 22.7 t70 -66.08 -34.25 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 2.48 110.482 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.18 -47.77 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 2.7 110.491 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -55.97 -51.84 66.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.7 111.17 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -68.97 -21.73 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 2.33 110.94 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.4 tmm_? -74.93 -49.12 21.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.536 -0.542 . . . . 3.61 109.536 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -59.72 -54.43 46.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.166 -0.47 . . . . 3.39 110.718 177.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.7 mt -55.53 -39.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 0.81 111.228 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -59.57 -41.97 91.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.108 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -38.17 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.513 -0.312 . . . . 2.57 111.577 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.45 -21.5 63.72 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.084 -0.246 . . . . 3.02 111.373 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.3 m -81.72 -36.05 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.899 -0.408 . . . . 1.4 109.899 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.805 -0.634 . . . . 4.14 109.837 177.756 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.877 0.37 . . . . 3.31 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.473 ' CB ' HD22 ' A' ' 47' ' ' LEU . 2.8 mm? -107.17 99.83 9.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.748 -0.66 . . . . 1.76 109.293 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.5 t -98.93 116.25 41.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.223 -0.444 . . . . 0.46 111.004 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 13.9 t -109.91 115.33 49.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.559 -0.534 . . . . 0.52 109.559 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 32.5 mt -113.56 125.59 54.35 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.774 -0.454 . . . . 1.33 109.774 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.85 130.5 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.835 0.35 . . . . 1.36 111.208 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 38.9 t -108.82 97.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 1.37 109.742 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -172.15 149.2 2.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.848 -0.615 . . . . 3.23 109.665 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -115.73 77.49 1.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.295 1.045 . . . . 4.58 109.126 166.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.9 t70 -128.17 110.35 12.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.233 -1.349 . . . . 2.29 108.176 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 pttt -56.56 -32.11 64.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.885 0.698 . . . . 3.77 112.885 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -79.71 -50.43 10.62 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.71 -0.396 . . . . 3.23 111.026 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 36.7 tp -55.56 -43.64 76.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 1.39 110.831 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.35 -52.27 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.97 111.335 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 8.9 pt-20 -73.75 -40.02 63.81 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.26 -0.576 . . . . 2.42 111.65 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 41' ' ' MET . 70.0 mm-40 -58.89 -44.92 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 2.53 110.934 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 0.61 110.867 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.69 -46.35 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.296 -0.562 . . . . 2.73 110.285 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 89.9 mttt -48.82 -50.66 33.39 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.345 0.403 . . . . 2.52 111.239 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 15.8 ptm -71.24 -41.34 70.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 2.61 111.783 -177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.16 56.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.75 111.412 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.41 -26.2 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 2.57 110.322 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -69.65 -34.1 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.788 -0.449 . . . . 2.98 109.788 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.35 9.56 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.76 110.809 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.81 32.83 5.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.554 -0.748 . . . . 2.22 111.26 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 123' ' ' SER . 11.6 mt -95.93 166.09 11.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.852 -0.796 . . . . 1.11 108.852 173.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.59 103.46 12.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.639 0.733 . . . . 2.13 110.031 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.8 tt -105.57 121.69 44.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.646 -0.706 . . . . 1.49 109.906 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.457 ' HB ' HD23 ' A' ' 26' ' ' LEU . 66.6 mt -117.5 132.34 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.606 -0.724 . . . . 1.31 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -84.43 123.97 30.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.069 -0.514 . . . . 1.2 110.557 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.6 t -99.71 144.97 29.32 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.88 -0.6 . . . . 1.95 110.134 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.583 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -49.75 160.59 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.61 2.206 . . . . 2.29 111.124 166.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.13 11.47 1.41 Allowed Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.796 -0.638 . . . . 2.14 114.537 -169.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -96.18 114.7 64.75 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 117.475 0.638 . . . . 1.75 109.547 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' A' ' 88' ' ' GLU . 53.6 Cg_exo -61.17 -30.33 88.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.096 2.531 . . . . 1.09 112.678 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 91' ' ' LYS . 9.9 pt-20 -65.3 -37.43 87.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 2.7 110.992 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.96 -36.97 78.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 2.3 110.05 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -60.76 -48.21 82.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.694 . . . . 0.78 112.216 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 56' ' ' PRO . 16.4 mm -64.71 -38.32 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.21 0.529 . . . . 1.03 110.132 -177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 98.5 mtt180 -68.85 -32.67 72.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.576 -0.738 . . . . 3.35 110.315 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -42.02 87.78 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.136 -0.69 . . . . 1.22 109.136 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.53 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 0.49 110.545 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.38 -39.4 79.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 2.12 110.658 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 10.7 mm-40 -63.25 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 2.21 110.856 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.62 -47.75 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.66 111.767 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -71.97 -38.63 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.602 0.593 . . . . 0.63 112.602 -172.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.7 -33.6 66.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.737 0.303 . . . . 2.46 110.992 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 67.4 mmtt -84.72 -13.37 51.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.806 -0.358 . . . . 2.41 110.743 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.427 ' CB ' HG21 ' A' ' 74' ' ' VAL . . . -80.71 121.53 81.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.358 -0.383 . . . . 0.78 111.171 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 108.02 2.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.17 1.914 . . . . 1.34 111.86 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.07 -176.21 16.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.774 -0.727 . . . . 0.77 112.16 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.15 119.41 6.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.915 2.41 . . . . 0.9 111.848 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 70' ' ' ALA . 66.0 t -131.87 146.88 32.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.914 -0.585 . . . . 1.5 109.793 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 139.74 45.55 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.625 . . . . 2.58 109.314 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 28.2 t -122.05 137.03 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.38 -0.373 . . . . 1.16 110.624 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.2 109.32 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.531 -0.914 . . . . 1.35 108.531 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.1 p -103.76 123.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 121.587 0.708 . . . . 1.01 110.321 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 107' ' ' ARG . 79.2 mt -107.2 108.41 19.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.202 -0.908 . . . . 1.37 110.566 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 28.5 pt -91.68 123.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.928 -0.397 . . . . 1.4 109.928 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 9.4 m -99.42 131.88 45.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.38 -0.373 . . . . 2.07 111.134 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.61 -164.37 13.99 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.892 -0.671 . . . . 1.09 112.492 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -99.29 116.62 31.89 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.004 -0.369 . . . . 2.22 110.004 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.14 122.75 24.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.145 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -73.21 157.6 88.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.584 -0.525 . . . . 2.07 109.584 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -36.81 -51.01 1.4 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.135 3.223 . . . . 1.3 114.298 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 23.1 t70 -61.41 -57.21 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.65 0.262 . . . . 2.43 110.849 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 46.4 mt-10 -57.45 -40.28 78.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 2.37 110.983 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.25 -43.96 98.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 2.81 110.59 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -71.4 -40.69 70.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 1.33 110.66 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 57' ' ' GLU . 32.5 mmtp -56.44 -53.59 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.031 -0.531 . . . . 2.41 110.85 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -19.45 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.958 -0.565 . . . . 0.78 111.14 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -77.45 -55.92 4.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.093 -0.503 . . . . 2.44 110.758 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.9 -39.23 76.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 2.85 110.444 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.52 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.361 . . . . 0.63 110.968 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.32 83.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.412 . . . . 0.64 111.004 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 16.5 mm-40 -67.16 -26.79 66.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 2.62 110.536 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.61 -43.29 10.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 2.66 110.498 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.25 61.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.58 112.163 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 16.3 ptt180 -64.72 -10.78 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.394 -0.192 . . . . 3.77 111.406 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.7 -30.39 67.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.981 0.419 . . . . 3.24 110.7 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.526 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.1 m-90 -111.48 32.21 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 2.65 110.317 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.11 37.63 24.08 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.336 -0.847 . . . . 2.0 111.642 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -89.9 127.99 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.108 -0.496 . . . . 0.99 109.738 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 7.2 ptp180 -127.87 144.47 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.882 0.372 . . . . 4.06 110.804 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 t -109.86 128.23 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 1.58 110.463 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 28.2 ttm180 -136.72 133.62 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.941 0.401 . . . . 3.0 110.377 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m -88.67 136.4 33.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.057 -0.519 . . . . 0.86 111.34 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' THR . 30.8 m -125.71 140.25 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 1.51 110.258 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -120.41 -6.49 9.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.532 . . . . 1.55 111.034 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 49.7 m -150.06 142.13 15.46 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.471 . . . . 1.52 109.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 27.4 Cg_exo -62.17 -32.66 82.89 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.193 2.595 . . . . 1.05 112.452 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.414 0.626 . . . . 2.48 109.953 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 9.4 mm-40 -74.19 -45.23 49.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.096 -0.957 . . . . 2.7 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.84 74.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.7 110.542 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -56.77 -46.99 81.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.321 -0.854 . . . . 2.33 111.313 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 8.4 ptp180 -68.94 -29.35 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.832 -0.347 . . . . 3.61 110.548 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.89 -44.69 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 3.39 110.666 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.08 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.81 110.227 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -58.95 -46.19 88.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.966 0.412 . . . . 2.76 110.315 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.08 -31.13 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 2.57 110.685 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -80.03 -27.08 39.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.689 -0.687 . . . . 3.02 110.896 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.3 m -78.23 -38.69 42.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.171 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 4.14 110.874 -176.461 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 74' ' ' VAL . 30.7 mmm180 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.501 0.191 . . . . 3.31 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.78 114.88 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.76 109.262 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 66' ' ' ILE . 38.4 t -121.9 136.41 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.049 0.452 . . . . 0.46 111.56 -170.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.7 t -121.18 116.15 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.52 109.821 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 50' ' ' ILE . 21.3 mt -115.45 113.94 24.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.791 0.329 . . . . 1.33 110.651 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.82 133.01 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 1.36 110.795 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.22 94.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.37 109.993 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -175.91 -179.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 3.23 110.217 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -144.84 81.79 1.66 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.859 -0.793 . . . . 4.58 108.859 163.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -125.43 122.11 35.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 2.29 108.585 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -66.89 -32.13 73.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.125 0.417 . . . . 3.77 112.125 -171.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.17 -46.17 21.24 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.575 -0.45 . . . . 3.23 110.324 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.23 -54.03 51.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 1.39 110.724 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.435 HG23 HG21 ' A' ' 51' ' ' THR . 81.7 mt -61.29 -52.29 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.97 112.057 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 48.8 mt-10 -61.63 -56.47 19.51 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.191 -0.204 . . . . 2.42 111.537 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.9 -34.18 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 2.53 110.972 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.3 -46.56 66.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.61 110.45 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 49' ' ' LEU . 40.9 ttt180 -65.9 -35.24 80.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 2.73 111.196 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mmmm -59.8 -41.17 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 2.52 110.615 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 mmt -78.59 -30.18 46.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.243 -0.435 . . . . 2.61 110.556 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -53.37 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 0.75 111.461 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.02 -20.28 63.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.082 0.468 . . . . 2.57 110.665 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.6 -23.53 60.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.776 -0.647 . . . . 2.98 109.82 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 13.69 30.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.711 -0.677 . . . . 0.76 111.147 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 62.51 33.86 15.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.054 -0.521 . . . . 2.22 111.415 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.83 143.71 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.11 110.022 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -89.6 98.52 11.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.24 -0.652 . . . . 2.13 109.24 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 39' ' ' ARG . 9.4 tt -106.03 126.55 52.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 1.49 110.822 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 26' ' ' LEU . 81.0 mt -129.15 131.75 67.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.329 -0.85 . . . . 1.31 109.847 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 35' ' ' ILE . 3.8 p -94.71 128.03 41.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.313 0.577 . . . . 1.2 111.331 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.3 t -102.04 149.01 36.17 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.189 -0.914 . . . . 1.95 110.106 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.55 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -48.15 161.62 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.744 2.296 . . . . 2.29 111.332 165.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.05 13.45 0.35 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.243 0.857 . . . . 2.14 115.243 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.482 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 10.9 p -89.81 125.11 62.01 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 117.749 0.774 . . . . 1.75 110.82 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.94 -45.14 0.75 Allowed 'Trans proline' 0 C--N 1.335 -0.175 0 C-N-CA 123.211 2.608 . . . . 1.09 113.906 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -73.38 -34.24 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.576 0.226 . . . . 2.7 111.406 -175.554 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.22 -36.02 78.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.147 0.498 . . . . 2.3 110.417 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.45 81.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.78 110.975 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 51.1 mt -71.63 -33.03 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.215 -0.448 . . . . 1.03 110.227 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 47.1 mtp180 -66.41 -37.63 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.752 -0.462 . . . . 3.35 109.752 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -43.8 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.908 -0.775 . . . . 1.22 108.908 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.28 93.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 0.49 110.806 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 25.2 tp60 -57.53 -41.71 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.61 . . . . 2.12 110.572 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.58 -56.34 18.83 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.044 -0.526 . . . . 2.21 111.241 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 24' ' ' VAL . 52.6 mt -58.7 -37.55 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.66 110.713 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -61.85 -53.81 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.503 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 10.6 pt-20 -71.55 -27.67 63.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 2.46 111.502 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -91.14 4.16 52.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.643 -0.253 . . . . 2.41 111.112 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.81 133.31 43.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.679 0.276 . . . . 0.78 111.622 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.56 108.66 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.225 1.95 . . . . 1.34 111.947 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.69 -169.99 37.83 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.755 -0.657 . . . . 0.77 112.114 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 123.56 13.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.736 2.291 . . . . 0.9 111.394 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 22' ' ' ARG . 13.2 p -111.36 137.99 41.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.265 0.555 . . . . 1.5 110.578 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.93 101.32 7.78 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.772 -0.825 . . . . 2.58 108.772 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.486 ' CG1' HG22 ' A' ' 104' ' ' VAL . 6.0 p -128.53 137.57 56.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.152 0.501 . . . . 1.16 110.957 -177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.3 pt? -133.17 144.67 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 1.35 110.256 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -101.59 131.16 49.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 1.01 109.774 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.0 mm? -111.0 99.88 8.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.37 111.163 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 108' ' ' THR . 32.9 pt -94.84 153.63 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.917 -0.771 . . . . 1.4 108.917 173.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 p -68.83 153.47 43.73 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.527 -0.469 . . . . 2.07 110.506 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 108' ' ' THR . . . -46.47 -63.42 3.07 Favored Glycine 0 C--N 1.332 0.356 0 O-C-N 123.915 0.76 . . . . 1.09 114.295 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.2 m -78.95 98.44 6.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.202 0.525 . . . . 2.22 110.448 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.72 127.21 43.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.51 -0.768 . . . . 1.13 109.81 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 145.75 99.03 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.03 -0.532 . . . . 2.07 109.992 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -36.1 -47.65 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.463 2.775 . . . . 1.3 113.916 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.25 -29.71 66.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.045 0.45 . . . . 2.43 111.288 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -43.62 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.16 0.505 . . . . 2.37 109.941 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.04 -38.72 82.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.444 -0.798 . . . . 2.81 111.355 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 p -61.24 -48.03 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.149 0.5 . . . . 1.33 110.724 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -66.01 -35.44 80.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 2.41 110.977 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.16 -42.4 69.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.78 110.586 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -64.72 -34.94 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.44 111.042 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.85 -47.89 56.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 2.85 110.824 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.4 -40.24 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.63 111.762 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -55.87 -53.76 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.647 0.26 . . . . 0.64 111.231 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.93 -29.78 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 2.62 110.994 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.25 -45.54 59.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 2.66 110.383 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.1 -21.74 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 0.58 111.98 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 54.9 mtp180 -59.46 -17.29 29.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.702 0.26 . . . . 3.77 111.702 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.84 -18.03 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 3.24 111.394 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -119.89 27.25 8.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.933 0.397 . . . . 2.65 110.309 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.4 t30 66.67 57.33 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.277 -0.874 . . . . 2.0 111.303 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.486 HG22 ' CG1' ' A' ' 76' ' ' VAL . 43.6 t -120.73 113.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.99 109.742 175.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -114.84 153.63 30.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.667 -0.242 . . . . 4.06 110.499 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t -117.3 126.03 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.711 0.291 . . . . 1.58 111.04 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -120.31 157.83 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.666 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 2.6 p -104.98 139.4 39.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.86 111.161 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -116.41 133.19 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.019 0.438 . . . . 1.51 110.961 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t -116.73 -19.0 10.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 1.55 111.234 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.4 p -156.85 157.01 30.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.494 -0.321 . . . . 1.52 110.365 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.59 -19.46 67.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.183 . . . . 1.05 111.172 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.25 -54.98 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.702 -0.681 . . . . 2.48 109.816 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 28.7 mm-40 -65.73 -33.75 76.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 2.7 110.734 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -54.1 -49.61 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.267 . . . . 0.7 111.477 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -74.8 -13.33 60.57 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 2.33 111.04 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 45.8 ttt180 -64.91 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 3.61 110.999 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.578 ' CZ2' ' HG ' ' A' ' 79' ' ' LEU . 20.2 p-90 -67.65 -27.04 66.53 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.861 -0.336 . . . . 3.39 111.065 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.11 -49.93 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.059 0.457 . . . . 0.81 110.487 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.21 -33.89 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.365 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -69.78 -48.76 58.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 2.57 110.617 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 118' ' ' TRP . 7.5 t80 -60.12 -27.24 66.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.282 -0.872 . . . . 3.02 111.039 -176.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -73.09 -14.99 61.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.879 -0.6 . . . . 1.4 111.16 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.269 . . . . 4.14 111.343 -178.134 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.656 -0.498 . . . . 3.31 109.656 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' A' ' 47' ' ' LEU . 72.1 mt -117.85 115.4 24.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.202 0.525 . . . . 1.76 110.816 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.6 t -107.92 134.53 49.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 0.46 109.188 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -125.97 110.43 23.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.826 0.346 . . . . 0.52 110.723 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.4 mt -106.62 124.67 49.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.671 -0.492 . . . . 1.33 109.671 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.19 139.91 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.096 -0.502 . . . . 1.36 111.319 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -89.44 152.68 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.057 -0.72 . . . . 1.37 109.057 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 11.0 p -59.44 114.85 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 3.23 112.773 -171.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -131.7 -170.65 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.134 -1.432 . . . . 4.58 107.134 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -40.33 130.11 2.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 2.29 110.907 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -58.65 -29.14 66.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.303 -0.862 . . . . 3.77 112.654 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.6 tttm -75.32 -32.76 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.707 -0.479 . . . . 3.23 109.707 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 115' ' ' ALA . 62.1 tp -64.58 -41.74 96.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 1.39 110.686 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -39.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.136 0.493 . . . . 0.97 109.775 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 50.5 mt-10 -67.22 -46.3 74.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.401 175.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 70.8 mm-40 -57.91 -43.67 86.34 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.491 -0.322 . . . . 2.53 111.181 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.63 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.61 110.872 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 31.8 ttp180 -69.28 -34.42 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 2.73 110.86 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.9 mmtm -60.31 -41.78 94.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.179 0.514 . . . . 2.52 110.301 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.5 mmm -70.77 -40.2 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.689 . . . . 2.61 110.127 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -62.22 -53.58 53.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 0.75 111.445 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.01 -26.56 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 2.57 111.191 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 4.0 ttmp? -77.57 -42.37 35.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.177 -0.465 . . . . 2.98 111.038 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.72 13.23 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.953 0.406 . . . . 0.76 111.275 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 58.88 45.58 15.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.588 -0.733 . . . . 2.22 111.87 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 23' ' ' LEU . 18.1 mt -98.77 153.94 18.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.807 -0.633 . . . . 1.11 109.528 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.09 98.64 11.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.809 -0.441 . . . . 2.13 109.809 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.1 tm? -92.56 114.76 27.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.012 -0.366 . . . . 1.49 110.012 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 69.6 mt -125.26 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.076 -0.511 . . . . 1.31 109.964 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -113.67 105.56 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.565 -0.289 . . . . 1.2 110.366 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HG22 ' A' ' 50' ' ' ILE . 90.9 t -122.65 82.24 48.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 1.95 110.011 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HB3' ' H ' ' A' ' 29' ' ' SER . 84.6 Cg_endo -91.07 103.69 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.691 2.261 . . . . 2.29 114.127 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.19 -52.88 0.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.128 -1.51 . . . . 2.14 110.114 155.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.591 ' H ' ' CG ' ' A' ' 58' ' ' GLU . 19.1 m -120.38 168.61 10.17 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.073 -1.084 . . . . 1.75 108.073 163.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.8 -39.63 70.83 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 121.171 1.247 . . . . 1.09 112.032 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 55' ' ' SER . 1.3 mp0 -69.13 -19.88 64.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.811 0.301 . . . . 2.7 111.811 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.591 ' CG ' ' H ' ' A' ' 55' ' ' SER . 17.6 mm-40 -60.94 -40.36 92.97 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.046 0.451 . . . . 2.3 110.271 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.45 80.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.78 110.16 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 49.8 mt -69.8 -39.62 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 1.03 111.477 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -67.27 -41.44 85.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.836 0.35 . . . . 3.35 110.107 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -61.84 -38.58 88.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.81 -0.811 . . . . 1.22 108.81 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -58.47 -49.34 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.194 -0.912 . . . . 0.49 111.344 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.72 -37.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 2.12 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.76 -45.67 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.187 -0.46 . . . . 2.21 110.462 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.82 -39.74 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.66 110.53 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 0.63 111.376 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.91 -29.31 19.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 2.46 110.689 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -91.37 -22.8 20.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.972 -0.558 . . . . 2.41 112.304 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 118.81 69.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.563 0.221 . . . . 0.78 110.751 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -84.28 108.02 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.275 1.983 . . . . 1.34 112.023 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.72 -173.13 21.35 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.813 -0.63 . . . . 0.77 111.734 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.4 118.49 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.359 2.039 . . . . 0.9 111.254 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.92 123.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.99 0.424 . . . . 1.5 110.592 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -108.11 131.06 55.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.429 -0.582 . . . . 2.58 109.429 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 t -105.33 125.41 60.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.999 0.428 . . . . 1.16 110.459 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 115.56 30.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.173 -0.677 . . . . 1.35 109.173 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 62.4 t -104.03 115.51 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.902 0.382 . . . . 1.01 110.499 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.18 106.34 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.19 126.19 38.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.008 -0.738 . . . . 1.4 109.008 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.4 t -67.09 155.5 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.663 -0.244 . . . . 2.07 110.951 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.91 9.01 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.892 -0.594 . . . . 1.09 114.153 -172.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 p -84.01 97.59 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.217 0.532 . . . . 2.22 111.548 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . -102.76 146.59 28.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.13 109.923 173.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.99 152.92 63.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.93 -0.396 . . . . 2.07 109.93 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -44.93 -51.31 7.64 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.734 2.956 . . . . 1.3 113.861 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.88 -44.5 63.67 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.902 -0.319 . . . . 2.43 110.69 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.77 -34.25 69.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 2.37 111.345 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' A' ' 84' ' ' ALA . 62.4 mttm -56.26 -50.39 71.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.108 0.48 . . . . 2.81 110.632 175.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -75.17 -35.55 61.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 1.33 111.108 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HE2' ' OE2' ' A' ' 57' ' ' GLU . 56.6 mtpt -65.21 -38.23 89.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 2.41 110.851 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.12 -29.8 67.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.993 0.425 . . . . 0.78 110.043 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -66.29 -51.1 60.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.861 -0.608 . . . . 2.44 110.455 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -59.58 -39.62 84.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.308 -0.405 . . . . 2.85 110.908 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.85 87.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.63 110.812 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.79 92.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.999 -0.546 . . . . 0.64 111.271 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.7 -39.54 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 2.62 111.003 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.25 -42.48 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 2.66 110.229 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.51 -13.21 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.614 . . . . 0.58 111.827 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -60.06 -39.88 87.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.565 -0.288 . . . . 3.77 111.195 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -75.64 -3.83 36.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.166 0.508 . . . . 3.24 110.762 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -103.12 13.02 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.766 -0.652 . . . . 2.65 109.885 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.4 t30 62.68 39.71 10.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.87 0.843 . . . . 2.0 110.512 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 91.4 t -109.64 134.0 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 0.99 109.757 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -126.74 134.99 50.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.457 -0.338 . . . . 4.06 110.687 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.28 139.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.191 0.519 . . . . 1.58 110.661 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -137.44 111.57 8.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.586 -0.734 . . . . 3.0 109.268 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 m -77.37 135.53 38.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.801 0.334 . . . . 0.86 110.375 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 115' ' ' ALA . 93.9 t -123.71 110.63 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.696 -0.684 . . . . 1.51 110.294 -178.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.3 t -104.96 -15.13 15.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.34 0.591 . . . . 1.55 109.696 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m -135.18 130.53 19.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 1.52 109.996 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.15 -29.51 16.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.987 3.125 . . . . 1.05 114.457 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.91 -25.38 65.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.749 -0.205 . . . . 2.48 111.148 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.8 -57.2 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.683 0.278 . . . . 2.7 110.703 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -56.1 -50.65 70.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.7 111.577 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.58 -32.75 71.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 2.33 110.744 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -76.21 -49.99 15.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.723 -0.671 . . . . 3.61 110.824 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -64.37 -46.61 82.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 3.39 111.572 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.88 -39.92 59.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.81 110.731 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.9 tttm -64.46 -46.09 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.506 -0.315 . . . . 2.76 110.433 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -38.4 91.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.605 0.241 . . . . 2.57 110.864 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -69.06 -26.04 64.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 3.02 110.712 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.5 m -83.25 -11.01 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 1.4 110.521 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 81.7 mm-40 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 4.14 110.249 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.566 0.698 . . . . 3.31 110.801 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 123' ' ' SER . 71.3 mt -91.37 120.31 32.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.87 . . . . 1.76 109.198 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 34.4 t -111.49 120.61 62.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.821 -0.437 . . . . 0.46 109.821 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.8 t -123.33 113.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.949 0.404 . . . . 0.52 110.728 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.7 mp -107.22 120.98 43.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.336 -0.616 . . . . 1.33 109.336 174.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 79' ' ' LEU . 2.6 pp -110.35 144.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.148 -0.621 . . . . 1.36 110.83 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 25.3 t -88.87 137.25 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.119 -0.946 . . . . 1.37 109.412 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -64.39 166.3 8.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.159 1.17 . . . . 3.23 114.159 -170.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 81' ' ' THR . 5.8 t-20 179.42 -168.81 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.245 -1.798 . . . . 4.58 106.491 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -38.06 133.16 0.93 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.401 0.438 . . . . 2.29 110.731 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -61.45 -18.1 57.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.034 0.753 . . . . 3.77 113.034 -170.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.71 -39.08 90.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.068 0.461 . . . . 3.23 109.982 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.68 -49.59 62.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.396 -0.82 . . . . 1.39 110.331 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.44 -50.81 70.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.296 -0.865 . . . . 0.97 111.255 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 46.8 mm-40 -61.14 -52.05 66.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.616 . . . . 2.42 111.254 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' HE3' ' A' ' 41' ' ' MET . 13.9 tp10 -65.26 -39.04 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.546 -0.297 . . . . 2.53 111.395 -172.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.47 97.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.49 . . . . 0.61 110.677 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -68.16 -32.84 73.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 2.73 110.555 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 84.1 mttt -63.27 -35.79 81.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.052 -0.522 . . . . 2.52 110.593 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.52 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 42.7 mtt -72.25 -29.13 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.884 -0.598 . . . . 2.61 110.565 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.24 66.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.898 -0.592 . . . . 0.75 111.35 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.71 -21.32 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 2.57 111.146 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -79.71 -44.31 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 2.98 110.933 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.88 5.06 47.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.955 -0.566 . . . . 0.76 111.546 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 60.1 38.35 20.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.636 -0.711 . . . . 2.22 111.751 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.39 153.99 32.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.11 110.334 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -92.68 105.79 17.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.126 -0.488 . . . . 2.13 109.784 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.57 134.1 52.32 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.14 0.495 . . . . 1.49 110.781 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.434 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 4.2 mp -116.52 126.79 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.754 . . . . 1.31 109.626 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -87.33 106.97 18.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.11 0.481 . . . . 1.2 110.892 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 53' ' ' PRO . 54.7 t -104.35 145.34 30.49 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.587 . . . . 1.95 111.361 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -37.18 163.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.591 3.527 . . . . 2.29 115.509 165.759 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 28' ' ' VAL . . . -68.71 12.41 1.04 Allowed Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 112.754 -2.021 . . . . 2.14 114.569 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -110.32 118.63 48.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 1.75 110.789 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.64 -27.55 81.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.006 2.471 . . . . 1.09 111.996 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.68 -54.28 19.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.705 -0.68 . . . . 2.7 110.561 171.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.15 -44.28 84.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.3 110.425 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.99 -60.98 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.883 0.697 . . . . 0.78 112.883 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 HG12 HG11 ' A' ' 78' ' ' VAL . 20.7 mt -69.31 -31.74 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 1.03 111.274 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -68.01 -41.36 82.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.126 -0.488 . . . . 3.35 109.712 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.8 tp -71.33 -30.75 66.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 1.22 110.191 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.68 91.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.49 110.767 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -67.24 -37.5 83.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.521 . . . . 2.12 110.637 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.69 -57.22 13.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.788 -0.642 . . . . 2.21 110.6 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.71 -34.73 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.66 110.79 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -61.16 -44.15 97.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.069 0.462 . . . . 0.63 111.724 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' OE2' ' HE3' ' A' ' 69' ' ' LYS . 31.6 tt0 -72.68 -37.71 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 2.46 110.761 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HE3' ' OE2' ' A' ' 68' ' ' GLU . 33.2 mmtp -89.08 1.69 55.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 2.41 112.107 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.93 123.05 68.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.548 0.213 . . . . 0.78 110.95 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.12 108.78 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.171 1.914 . . . . 1.34 112.318 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 74' ' ' VAL . . . 133.9 -170.85 22.31 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.045 -0.598 . . . . 0.77 111.816 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.67 117.95 5.24 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.176 1.917 . . . . 0.9 110.384 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' GLY . 79.1 t -113.41 126.56 70.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.179 0.514 . . . . 1.5 111.747 -171.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 22.7 tptm -133.89 117.53 16.89 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.378 -0.971 . . . . 2.58 108.378 173.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG21 ' HB2' ' A' ' 67' ' ' ALA . 14.1 t -113.99 147.62 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.12 0.486 . . . . 1.16 111.512 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.05 124.16 17.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.694 -0.854 . . . . 1.35 108.694 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 13.5 p -114.59 128.56 71.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.458 0.647 . . . . 1.01 110.168 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' HB2' HG22 ' A' ' 27' ' ' ILE . 2.8 mm? -107.69 99.53 9.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.323 -0.853 . . . . 1.37 110.827 -171.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 1.6 tt -81.66 124.47 39.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.435 -0.579 . . . . 1.4 109.435 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 30' ' ' ASN . 61.0 m -108.51 124.21 50.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.061 -0.518 . . . . 2.07 111.04 -170.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.59 15.86 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.988 -0.625 . . . . 1.09 111.955 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -110.09 135.75 50.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.895 -0.409 . . . . 2.22 109.895 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.92 115.5 21.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 1.13 111.151 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -69.98 152.16 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 2.07 109.877 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -41.54 -49.68 5.05 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.686 2.924 . . . . 1.3 114.296 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 5.4 m-20 -60.17 -54.91 40.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 2.43 110.745 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 91' ' ' LYS . 13.5 mm-40 -69.81 -26.74 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.094 -0.503 . . . . 2.37 111.398 -176.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -63.57 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.513 0.673 . . . . 2.81 109.223 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 m -75.35 -33.62 61.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 1.33 110.355 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 33.2 mmtp -62.87 -45.1 94.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.992 -0.549 . . . . 2.41 109.957 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.52 75.21 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.119 -0.946 . . . . 0.78 110.857 -171.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -35.15 80.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 2.44 111.257 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -75.44 -53.66 8.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.021 -0.536 . . . . 2.85 110.573 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.0 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.069 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -60.48 -39.7 88.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.64 110.992 178.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.51 -41.13 84.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.769 -0.65 . . . . 2.62 110.575 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.49 -39.92 67.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 2.66 110.41 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.94 -12.19 60.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.58 112.151 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 38.9 mtp180 -55.44 -26.76 43.92 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.739 0.274 . . . . 3.77 111.739 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.22 -33.1 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 3.24 110.963 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.466 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 30.0 m-90 -102.77 9.2 39.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 2.65 110.738 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 64.62 36.94 8.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.544 -0.753 . . . . 2.0 111.347 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.556 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 39.8 t -82.16 107.25 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.99 109.987 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -92.5 143.69 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 4.06 111.091 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.421 HG22 ' CG1' ' A' ' 78' ' ' VAL . 47.4 t -110.69 123.75 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.56 . . . . 1.58 110.217 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -128.37 145.66 51.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.848 0.356 . . . . 3.0 110.628 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 m -100.52 133.65 44.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.011 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.86 110.4 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.15 -0.477 . . . . 1.51 110.052 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m -99.86 -27.6 13.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.349 0.595 . . . . 1.55 109.975 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.1 p -135.95 142.4 40.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.27 -0.641 . . . . 1.52 109.27 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.92 -18.81 36.84 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.199 2.599 . . . . 1.05 113.856 -172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.44 -20.93 61.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 2.48 110.625 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.63 -37.67 62.74 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.969 -0.382 . . . . 2.7 109.969 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.89 69.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.7 110.677 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -59.3 -32.64 70.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 2.33 110.411 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -73.08 -59.2 2.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 3.61 111.156 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -66.52 -33.19 75.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.479 0.548 . . . . 3.39 112.479 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.82 -46.55 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.808 -0.357 . . . . 0.81 110.487 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HA ' ' OG ' ' A' ' 123' ' ' SER . 63.8 mttp -70.86 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 2.76 110.998 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.72 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 2.57 109.791 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 93.4 t80 -78.87 -36.03 42.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.009 -0.996 . . . . 3.02 110.983 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 120' ' ' LYS . 25.4 p -81.2 -54.74 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.4 111.538 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.778 -0.192 . . . . 4.14 110.659 -177.746 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.529 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 10.4 mmm180 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.668 0.27 . . . . 3.31 111.046 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.86 100.22 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 1.76 109.555 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -106.27 132.9 52.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.968 -0.56 . . . . 0.46 111.476 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 110.56 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.52 109.913 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD23 ' HB ' ' A' ' 50' ' ' ILE . 19.8 mt -106.59 113.2 26.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.916 -0.584 . . . . 1.33 109.978 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.6 tt -116.64 133.5 63.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.43 0.633 . . . . 1.36 111.989 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 80' ' ' ILE . 2.7 p -124.58 103.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.243 -0.89 . . . . 1.37 109.037 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.535 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 59.1 m -145.76 -178.82 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.248 0.462 . . . . 3.23 112.248 -174.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -78.21 -170.84 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.226 -0.897 . . . . 4.58 111.189 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -8.89 128.3 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.023 1.729 . . . . 2.29 114.911 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 57.9 mtpt -60.7 -14.78 23.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.741 -1.118 . . . . 3.77 113.529 -171.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -53.28 -44.37 68.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.071 0.462 . . . . 3.23 110.54 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -41.38 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.603 -0.726 . . . . 1.39 110.748 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 64.8 mt -65.13 -47.44 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.97 111.275 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 mm-40 -58.26 -43.65 88.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 2.42 110.556 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' MET . 43.6 tt0 -61.96 -42.71 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.241 -0.436 . . . . 2.53 110.294 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.5 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.834 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 67.1 mtp180 -63.61 -36.48 83.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 2.73 110.753 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 75.7 mmtt -63.06 -31.84 73.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 2.52 110.446 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.4 mmt -76.12 -37.44 58.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 2.61 109.669 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.16 72.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.75 111.441 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -62.35 -27.17 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 2.57 111.027 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -69.54 -60.27 2.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.215 -0.448 . . . . 2.98 111.255 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.84 16.68 15.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.76 111.711 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.39 58.6 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.282 -0.872 . . . . 2.22 111.959 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.87 137.27 41.29 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.283 -1.006 . . . . 1.11 108.283 170.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 12.2 tt0 -81.39 97.97 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.213 0.53 . . . . 2.13 109.747 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 116.64 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.318 -0.856 . . . . 1.49 109.737 -176.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HB ' HD23 ' A' ' 26' ' ' LEU . 36.2 mm -126.19 131.29 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 1.31 109.704 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 p -85.59 130.29 34.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.209 -0.451 . . . . 1.2 111.301 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 53' ' ' PRO . 66.9 t -105.06 143.15 26.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.755 -0.657 . . . . 1.95 111.016 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.613 ' O ' HG12 ' A' ' 52' ' ' VAL . 9.2 Cg_endo -53.44 161.61 3.9 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.019 2.479 . . . . 2.29 111.951 168.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.18 12.79 0.41 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.334 0.894 . . . . 2.14 115.334 -170.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -108.99 118.47 51.36 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 117.46 0.63 . . . . 1.75 110.423 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HD2' ' OE1' ' A' ' 88' ' ' GLU . 46.2 Cg_exo -58.26 -26.42 76.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.011 2.474 . . . . 1.09 112.372 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.492 -0.776 . . . . 2.7 110.479 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.8 tp10 -67.84 -36.7 80.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.459 -177.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.8 86.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.78 111.203 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 95' ' ' ALA . 50.0 mm -72.08 -39.89 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.082 -0.508 . . . . 1.03 111.029 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 61' ' ' ARG . 56.2 mtt180 -73.13 -27.15 61.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.45 -0.341 . . . . 3.35 111.496 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -67.59 -40.94 84.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.709 -0.849 . . . . 1.22 108.709 173.517 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.67 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.47 -0.786 . . . . 0.49 110.406 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.712 . . . . 2.12 110.569 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.7 -55.57 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 2.21 110.605 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.84 -35.97 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 0.66 111.276 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -60.6 -36.01 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.332 . . . . 0.63 111.843 -178.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.1 -22.59 20.64 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.835 -0.346 . . . . 2.46 111.725 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -83.22 -29.07 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.704 0.288 . . . . 2.41 111.361 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 22' ' ' ARG . . . -80.76 122.38 82.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.521 -0.309 . . . . 0.78 111.296 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.02 108.79 1.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.296 1.998 . . . . 1.34 112.038 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.11 -155.98 18.86 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.77 112.234 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.56 119.83 6.73 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.827 2.351 . . . . 0.9 111.672 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 67' ' ' ALA . 4.9 t -118.71 137.18 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.825 0.345 . . . . 1.5 110.407 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -141.75 117.16 10.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.903 -0.777 . . . . 2.58 108.903 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 104' ' ' VAL . 18.8 t -119.07 140.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.295 0.569 . . . . 1.16 111.664 -174.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 tp -123.41 124.86 43.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 1.35 109.402 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.8 m -105.99 129.03 59.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.217 0.532 . . . . 1.01 110.523 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 107' ' ' ARG . 74.2 mt -109.17 100.01 9.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.748 -0.66 . . . . 1.37 110.326 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.489 ' HA ' HG13 ' A' ' 28' ' ' VAL . 37.2 pt -94.4 133.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.826 -0.435 . . . . 1.4 109.826 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.535 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 5.5 t -92.05 152.2 20.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.037 0.446 . . . . 2.07 111.647 -175.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.38 -146.65 50.48 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.462 -0.79 . . . . 1.09 112.803 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -109.93 143.31 40.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.546 -0.539 . . . . 2.22 109.546 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 125.12 28.5 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.54 -0.541 . . . . 1.13 109.54 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.08 156.5 10.27 Favored Pre-proline 0 C--O 1.222 -0.381 0 CA-C-N 115.943 -0.571 . . . . 2.07 110.166 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -37.27 -50.88 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.674 2.916 . . . . 1.3 114.203 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -71.79 -45.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 2.43 110.795 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 56' ' ' PRO . 8.3 mm-40 -63.2 -30.44 71.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.781 -0.645 . . . . 2.37 111.014 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.63 -52.42 60.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 2.81 111.256 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -73.7 -26.11 60.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.038 0.447 . . . . 1.33 110.145 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -69.14 -50.23 49.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 2.41 110.437 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.72 -20.77 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.78 110.473 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.75 -48.21 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 2.44 109.825 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.5 -39.88 88.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 2.85 110.348 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.5 -34.68 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.042 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.87 90.3 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.64 111.609 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -73.03 -23.36 60.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 2.62 110.961 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.707 ' O ' ' HE3' ' A' ' 101' ' ' LYS . 8.7 tp10 -71.28 -54.88 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.612 -0.514 . . . . 2.66 109.612 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -69.82 -13.99 62.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.186 0.517 . . . . 0.58 111.262 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.87 -26.13 65.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.77 110.761 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HE3' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.6 -23.19 65.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.463 -0.335 . . . . 3.24 111.6 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -112.78 24.54 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 2.65 111.249 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 60.36 37.36 20.18 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.939 -0.573 . . . . 2.0 111.91 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 40.1 t -93.86 109.65 22.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.635 -0.506 . . . . 0.99 109.635 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -92.4 134.72 34.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 4.06 110.807 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.69 129.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 1.58 110.16 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.435 ' HB3' HD23 ' A' ' 79' ' ' LEU . 3.0 tpm_? -137.11 155.82 49.14 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.865 -0.42 . . . . 3.0 109.865 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 26.2 m -116.28 135.6 53.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.86 111.122 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.14 118.47 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.716 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -118.77 -7.55 10.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.853 0.358 . . . . 1.55 110.875 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.1 p -153.06 148.5 20.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 1.52 110.78 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -45.7 -45.62 16.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.119 2.546 . . . . 1.05 113.572 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.22 -42.22 51.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.883 -0.599 . . . . 2.48 112.104 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.2 -55.34 29.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.126 -0.488 . . . . 2.7 110.568 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.75 70.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.39 . . . . 0.7 110.856 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -57.9 -47.74 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.689 -0.687 . . . . 2.33 111.503 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 117' ' ' ARG . 11.6 ptp180 -78.74 -27.94 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.884 -0.326 . . . . 3.61 111.491 -175.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -69.43 -40.16 77.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.788 0.328 . . . . 3.39 110.264 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -36.1 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.81 110.135 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -58.17 -55.53 33.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 2.76 111.311 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.96 -33.46 74.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.703 0.287 . . . . 2.57 111.109 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -66.43 -38.86 88.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.02 110.561 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -75.17 -53.86 8.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 1.4 110.364 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.578 0.704 . . . . 4.14 109.69 -177.585 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.589 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 4.3 mmp_? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.75 0.31 . . . . 3.31 111.153 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.49 113.1 25.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.532 -0.544 . . . . 1.76 109.532 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 t -116.4 135.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.749 -0.66 . . . . 0.46 110.186 -176.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 42.4 t -132.03 119.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.982 -0.377 . . . . 0.52 109.982 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 5.3 mp -105.42 116.02 31.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.818 -0.808 . . . . 1.33 108.818 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 29' ' ' SER . 0.3 OUTLIER -102.43 126.59 56.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.775 -0.648 . . . . 1.36 109.843 -173.127 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.08 97.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.48 -1.304 . . . . 1.37 107.48 170.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB2' HD12 ' A' ' 27' ' ' ILE . 24.0 t -116.01 141.69 47.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.72 0.771 . . . . 3.23 112.766 -165.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -78.44 -170.12 1.93 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.071 -1.422 . . . . 4.58 108.242 164.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t0 -8.01 126.37 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.996 1.435 . . . . 2.29 114.274 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.25 -13.71 5.67 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.527 0.936 . . . . 3.77 113.527 -170.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' A' ' 31' ' ' ASP . 49.1 mttp -56.36 -32.23 64.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.073 0.463 . . . . 3.23 110.381 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 81' ' ' THR . 29.9 tp -76.73 -45.1 30.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 1.39 110.399 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.6 -46.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.648 -0.706 . . . . 0.97 110.513 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 52.6 mm-40 -52.32 -62.53 1.58 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 2.42 111.426 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -56.14 -42.52 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 2.53 111.39 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.7 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.61 111.153 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -71.74 -32.09 67.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 2.73 110.883 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.3 mmtm -56.5 -50.66 71.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.056 -0.52 . . . . 2.52 111.036 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.6 mmt -74.52 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 2.61 111.272 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.5 75.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 0.75 110.891 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.9 -37.23 83.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.987 0.422 . . . . 2.57 110.322 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.06 -30.71 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 2.98 111.328 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.48 11.44 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.76 111.434 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 61.68 51.85 3.79 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.753 0.787 . . . . 2.22 110.642 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.543 HD11 ' OG ' ' A' ' 123' ' ' SER . 27.4 mt -115.47 156.21 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.574 -0.739 . . . . 1.11 109.197 175.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . 4.3 tp10 -101.03 100.03 10.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.031 -0.359 . . . . 2.13 110.031 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.6 tt -108.58 127.67 54.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 1.49 110.367 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 52' ' ' VAL . 63.0 mt -122.22 137.84 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.355 -0.839 . . . . 1.31 109.857 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.489 HG22 ' HD3' ' A' ' 53' ' ' PRO . 26.0 m -109.82 100.83 9.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.583 0.23 . . . . 1.2 110.698 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 50' ' ' ILE . 58.5 t -126.8 82.06 68.08 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 1.95 110.601 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HD3' HG22 ' A' ' 51' ' ' THR . 87.4 Cg_endo -90.23 104.14 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.483 2.122 . . . . 2.29 113.365 171.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.42 -51.04 0.2 Allowed Glycine 0 CA--C 1.506 -0.504 0 C-N-CA 119.296 -1.43 . . . . 2.14 109.723 160.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -119.22 158.26 48.93 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.917 -1.142 . . . . 1.75 107.917 157.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' ILE . 68.7 Cg_exo -56.69 -40.99 80.47 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 121.206 1.27 . . . . 1.09 110.553 168.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.92 -30.07 71.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.157 -0.929 . . . . 2.7 111.788 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.96 -44.7 94.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.947 0.404 . . . . 2.3 110.933 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.25 74.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 0.78 110.651 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' PRO . 13.3 mm -64.66 -41.41 92.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.122 0.487 . . . . 1.03 110.294 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -74.49 -30.69 61.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 3.35 110.599 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.0 tp -73.05 -30.3 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 1.22 110.196 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.44 74.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.49 110.576 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -63.02 -39.18 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.387 -0.824 . . . . 2.12 110.762 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 12.9 mm-40 -69.73 -48.97 57.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 2.21 110.718 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 HD11 ' A' ' 26' ' ' LEU . 72.1 mt -61.19 -38.99 80.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.66 111.099 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.3 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.63 111.28 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.24 -46.23 56.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.216 0.531 . . . . 2.46 110.694 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 14.6 mmmm -77.02 -17.43 58.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.621 . . . . 2.41 111.955 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.49 120.41 76.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.21 -0.292 . . . . 0.78 110.21 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.51 108.08 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.137 1.891 . . . . 1.34 112.236 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.52 -167.27 23.95 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.888 -0.673 . . . . 0.77 111.934 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.5 119.27 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.503 2.135 . . . . 0.9 111.397 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.62 137.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.264 -0.426 . . . . 1.5 110.961 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -127.83 113.86 16.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.494 -0.928 . . . . 2.58 108.494 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 10.5 t -114.51 135.31 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.216 0.531 . . . . 1.16 111.497 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 20.5 mt -115.76 142.55 46.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.965 -0.561 . . . . 1.35 109.726 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 26' ' ' LEU . 2.7 m -128.09 118.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.918 -0.583 . . . . 1.01 109.64 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.5 mt -109.41 124.44 51.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.617 -0.72 . . . . 1.37 110.469 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.1 pt -104.12 145.29 13.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.415 -0.587 . . . . 1.4 109.415 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 32.1 p -114.35 151.56 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.025 0.441 . . . . 2.07 112.016 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.13 -156.66 50.47 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.687 -0.688 . . . . 1.09 111.924 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -100.62 105.49 16.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.921 0.391 . . . . 2.22 110.554 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.29 120.64 16.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 1.13 109.716 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.34 158.5 56.74 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.455 . . . . 2.07 110.47 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -46.21 11.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.855 2.37 . . . . 1.3 112.846 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 5.7 m-20 -60.83 -35.99 77.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 2.43 111.249 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 50.7 mt-10 -81.12 -43.58 19.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.082 -0.508 . . . . 2.37 110.515 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.24 -40.73 95.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.496 -0.774 . . . . 2.81 111.192 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -62.15 -48.52 79.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 1.33 110.941 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 95.5 mttt -59.94 -41.5 91.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 2.41 110.69 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.12 70.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.78 110.718 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.74 -41.43 78.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 2.44 110.59 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -68.38 -44.8 74.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 2.85 110.38 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.16 80.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.63 110.353 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -61.15 -30.64 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.64 111.254 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.96 -48.78 28.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 2.62 110.387 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.61 -39.33 84.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 2.66 110.699 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 104' ' ' VAL . . . -79.39 -13.57 59.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.046 -0.525 . . . . 0.58 111.989 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 51.5 ttm-85 -55.92 -28.62 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 3.77 110.552 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.63 -18.3 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.681 -0.691 . . . . 3.24 111.11 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -96.98 8.2 44.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 2.65 110.938 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.4 t30 66.69 34.96 5.43 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.519 -0.764 . . . . 2.0 111.01 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 8.8 p -105.46 139.22 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.99 109.76 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.8 131.59 49.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 4.06 110.673 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.494 ' HA ' HG23 ' A' ' 78' ' ' VAL . 21.6 t -96.0 124.17 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 1.58 110.86 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.62 143.03 50.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.576 -0.528 . . . . 3.0 109.576 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 m -99.37 125.71 45.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.787 0.327 . . . . 0.86 110.509 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' THR . 31.5 m -123.87 145.63 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 1.51 110.298 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -118.3 -36.47 3.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 1.55 111.108 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -116.03 150.81 45.73 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.068 -0.515 . . . . 1.52 110.467 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.28 -32.48 88.19 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.26 2.64 . . . . 1.05 113.12 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.78 -36.03 77.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.975 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.26 -53.43 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 2.7 110.497 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.0 88.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.7 110.832 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.35 -36.07 79.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.595 . . . . 2.33 110.498 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -65.81 -50.26 65.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.651 . . . . 3.61 110.701 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -61.25 -44.68 96.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 3.39 111.206 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.64 -52.31 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.325 . . . . 0.81 111.441 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -62.71 -39.79 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 2.76 110.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.17 -47.24 80.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 2.57 110.326 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.75 -24.85 67.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 3.02 111.52 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.543 ' OG ' HD11 ' A' ' 47' ' ' LEU . 50.2 m -59.7 -36.55 76.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.183 -0.462 . . . . 1.4 111.875 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 123.474 0.709 . . . . 4.14 111.819 -178.19 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HB3' HG12 ' A' ' 74' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 121.389 0.614 . . . . 3.31 110.995 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -108.94 115.29 29.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.475 -0.784 . . . . 1.76 109.071 174.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 76' ' ' VAL . 44.3 t -107.47 133.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.778 -0.646 . . . . 0.46 110.423 -174.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 9.2 t -124.75 109.96 23.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 0.52 110.543 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.1 121.6 45.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.1 -0.5 . . . . 1.33 109.776 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.555 HG23 HG22 ' A' ' 51' ' ' THR . 6.1 tt -125.52 145.77 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 1.36 110.925 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.95 151.77 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 1.37 109.856 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 6.0 p -62.43 138.6 58.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.444 0.535 . . . . 3.23 112.444 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -156.7 -172.7 4.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.289 -1.374 . . . . 4.58 107.289 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.59 139.08 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.392 -0.596 . . . . 2.29 109.392 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -62.33 -19.03 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.842 -0.617 . . . . 3.77 112.184 -171.286 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -60.9 -38.08 84.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.963 0.411 . . . . 3.23 110.268 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.43 -49.19 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.759 -0.655 . . . . 1.39 110.603 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.5 -41.25 91.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.855 -0.611 . . . . 0.97 111.109 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 41.4 mt-10 -60.69 -55.15 36.73 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.121 -0.232 . . . . 2.42 111.139 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.11 -30.56 71.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.317 . . . . 2.53 111.244 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.17 88.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.61 110.266 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -64.72 -42.31 95.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 2.73 111.476 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 74.8 mmtt -57.87 -41.07 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.833 0.349 . . . . 2.52 110.448 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 116' ' ' LYS . 86.4 mmm -72.58 -38.8 67.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.907 -0.588 . . . . 2.61 111.087 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -65.74 -58.65 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.75 110.884 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.38 -23.31 66.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 2.57 110.97 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -58.16 -43.85 87.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.14 0.495 . . . . 2.98 110.672 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.01 30.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.76 110.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 62.09 42.58 9.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.468 -0.787 . . . . 2.22 110.884 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -92.41 145.91 24.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 176.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.42 99.68 11.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.752 0.787 . . . . 2.13 110.858 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.8 tm? -87.95 116.95 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.707 -1.133 . . . . 1.49 108.791 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG22 HG23 ' A' ' 52' ' ' VAL . 40.2 mm -129.44 135.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.909 0.385 . . . . 1.31 110.757 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.555 HG22 HG23 ' A' ' 27' ' ' ILE . 24.4 p -103.75 100.88 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.472 . . . . 1.2 110.799 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 50' ' ' ILE . 41.1 t -121.78 82.33 41.98 Favored Pre-proline 0 N--CA 1.465 0.324 0 C-N-CA 120.488 -0.485 . . . . 1.95 110.901 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HB3' ' H ' ' A' ' 29' ' ' SER . 89.0 Cg_endo -90.84 104.87 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.847 2.365 . . . . 2.29 113.885 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.76 -52.67 0.15 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.705 -1.712 . . . . 2.14 111.372 160.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.427 ' H ' ' HB2' ' A' ' 58' ' ' GLU . 36.7 m -121.55 170.76 7.02 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.956 -0.757 . . . . 1.75 108.956 164.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' ILE . 22.0 Cg_exo -63.09 -48.47 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.238 1.292 . . . . 1.09 110.348 166.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -24.49 67.74 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.809 -0.632 . . . . 2.7 111.639 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 55' ' ' SER . 7.7 tp10 -56.72 -51.14 69.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 2.3 110.57 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.03 -32.28 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.78 110.956 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 106' ' ' VAL . 6.4 mm -70.26 -44.96 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.195 0.522 . . . . 1.03 110.235 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 3.35 110.208 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -43.45 87.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.795 -0.817 . . . . 1.22 108.795 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.37 -49.19 78.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.33 -0.85 . . . . 0.49 110.834 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -47.73 78.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.528 -0.76 . . . . 2.12 110.019 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 36.2 tt0 -55.56 -52.44 63.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 2.21 111.168 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.46 -44.73 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.539 -0.301 . . . . 0.66 110.985 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.481 -0.327 . . . . 0.63 111.469 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.59 -47.69 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 2.46 110.841 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.8 mmtp -78.77 -10.75 59.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.576 . . . . 2.41 111.447 -174.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' CB ' HG11 ' A' ' 74' ' ' VAL . . . -77.97 128.41 78.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.312 -0.404 . . . . 0.78 111.066 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 9.9 Cg_exo -75.4 108.83 2.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.754 2.303 . . . . 1.34 112.216 175.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 -168.32 15.22 Favored Glycine 0 C--N 1.315 -0.597 0 CA-C-N 115.658 -0.701 . . . . 0.77 113.408 171.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.29 119.54 6.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.447 2.765 . . . . 0.9 112.506 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 22' ' ' ARG . 17.6 m -128.74 163.73 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 1.5 110.738 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -147.58 107.7 4.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.013 -0.736 . . . . 2.58 109.013 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 24' ' ' VAL . 38.5 t -100.53 127.43 53.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.092 0.472 . . . . 1.16 110.833 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 69.3 tp -108.73 117.11 33.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.636 -0.711 . . . . 1.35 109.709 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 60' ' ' ILE . 46.3 t -105.83 131.68 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 110.066 -0.346 . . . . 1.01 110.066 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.9 mt -114.26 104.34 11.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 1.37 110.735 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.07 144.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.122 -0.696 . . . . 1.4 109.122 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.0 p -71.19 157.61 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.445 -0.343 . . . . 2.07 111.903 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.98 -52.82 37.1 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.09 113.746 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -94.23 94.84 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.311 0.577 . . . . 2.22 111.365 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' A' ' 89' ' ' LYS . . . -103.72 156.64 17.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.401 -0.818 . . . . 1.13 108.806 168.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.19 142.48 87.29 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.212 -0.662 . . . . 2.07 109.212 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -38.47 -47.18 2.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.325 2.683 . . . . 1.3 113.74 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.48 -30.98 65.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.482 -0.326 . . . . 2.43 111.044 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 2.37 110.002 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 84' ' ' ALA . 30.8 mmtp -63.05 -41.98 99.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 2.81 110.298 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 m -60.15 -48.52 81.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 1.33 110.903 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.07 -41.17 86.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 2.41 111.437 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.39 75.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.78 110.763 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.88 -47.31 85.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 2.44 110.796 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.7 -47.71 80.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 2.85 110.415 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.17 -33.39 74.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.562 -0.744 . . . . 0.63 111.309 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.4 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.64 111.382 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -84.06 -26.68 28.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.62 110.706 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.84 -51.34 27.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.36 -0.382 . . . . 2.66 110.213 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.52 62.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.021 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -58.2 -27.49 63.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 3.77 111.165 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -61.86 -24.53 66.97 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.996 0.427 . . . . 3.24 111.004 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -100.07 22.19 11.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 2.65 110.445 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 65.79 26.84 11.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.572 -0.74 . . . . 2.0 111.115 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.2 t -93.89 134.36 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.493 . . . . 0.99 110.074 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -130.7 112.55 13.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.423 0.63 . . . . 4.06 110.354 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 60' ' ' ILE . 23.2 t -88.44 135.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 1.58 110.127 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -130.98 152.77 49.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.107 -0.331 . . . . 3.0 110.107 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -98.27 122.39 41.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.86 109.897 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.3 t -109.08 118.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.276 -0.42 . . . . 1.51 110.989 -177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.3 p -93.81 -23.35 18.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 1.55 112.26 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -152.07 152.81 30.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.209 -0.307 . . . . 1.52 111.15 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.56 -37.01 90.47 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.918 2.412 . . . . 1.05 113.157 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.471 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 3.3 m-20 -58.44 -46.77 85.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.038 0.446 . . . . 2.48 110.645 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.46 -37.8 87.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 2.7 109.971 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -58.32 -58.76 7.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.7 111.367 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 22.3 pttp -66.01 -22.3 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 2.33 111.508 -176.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -66.93 -54.51 21.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.046 -0.354 . . . . 3.61 110.046 175.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -68.21 -32.51 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 3.39 111.475 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.0 mt -61.99 -42.82 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.786 -0.45 . . . . 0.81 109.786 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -59.13 -42.8 91.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.166 -0.47 . . . . 2.76 110.501 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 117' ' ' ARG . 16.8 mm-40 -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.7 -0.682 . . . . 2.57 111.495 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -84.78 -22.85 29.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.317 . . . . 3.02 111.429 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.3 t -71.95 -62.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.275 -0.421 . . . . 1.4 110.902 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.258 -0.428 . . . . 4.14 110.331 -177.951 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.123 -0.325 . . . . 3.31 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.59 122.73 48.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.79 -0.448 . . . . 1.76 109.79 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.64 137.55 57.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.46 111.638 -172.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.729 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 15.4 t -132.03 114.67 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.52 110.169 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 66' ' ' ILE . 1.6 mm? -106.34 112.25 25.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.456 -0.942 . . . . 1.33 108.456 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 79' ' ' LEU . 32.2 pt -111.06 146.64 15.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.083 0.468 . . . . 1.36 110.916 -175.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HB ' HG22 ' A' ' 81' ' ' THR . 99.4 t -88.36 145.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.945 -0.761 . . . . 1.37 108.945 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -58.8 113.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 3.23 112.632 -171.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.638 ' HB3' HD23 ' A' ' 34' ' ' LEU . 12.0 t-20 -112.67 -170.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.719 -1.128 . . . . 4.58 108.264 174.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -45.87 140.47 3.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.111 0.482 . . . . 2.29 111.121 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -57.71 -27.47 62.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.324 -0.853 . . . . 3.77 112.322 -171.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 2.3 mptm? -63.4 -44.94 93.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 3.23 110.431 176.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 30' ' ' ASN . 50.2 tp -63.69 -42.17 98.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.771 -0.649 . . . . 1.39 110.619 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.501 HG23 HG21 ' A' ' 51' ' ' THR . 46.5 mm -51.7 -43.78 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.97 110.595 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -75.15 -49.2 20.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.621 -0.718 . . . . 2.42 111.277 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 20.8 mm-40 -65.72 -41.36 92.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.692 0.256 . . . . 2.53 111.692 -175.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.16 93.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.61 110.695 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 41.3 ttt180 -69.18 -36.35 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 2.73 110.171 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.9 mttt -62.97 -45.38 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 2.52 110.558 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.9 mmt -63.39 -36.9 85.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 2.61 110.053 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.03 94.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 0.75 111.189 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.3 mm-40 -66.33 -33.33 75.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 2.57 111.013 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -72.88 -34.16 66.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.194 -0.457 . . . . 2.98 111.17 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 5.03 44.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.76 111.696 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.97 54.98 5.6 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.347 -0.842 . . . . 2.22 110.583 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.12 141.1 40.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.599 . . . . 1.11 109.965 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.33 98.54 8.21 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.072 -0.714 . . . . 2.13 109.072 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 tt -115.41 120.49 39.75 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.31 -0.556 . . . . 1.49 110.711 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.6 mm -116.9 138.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.343 -0.844 . . . . 1.31 110.277 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.501 HG21 HG23 ' A' ' 35' ' ' ILE . 29.7 p -90.22 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.28 0.562 . . . . 1.2 110.682 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 53' ' ' PRO . 77.3 t -92.22 144.87 29.7 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.562 -0.744 . . . . 1.95 111.108 -177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.3 162.1 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.409 2.739 . . . . 2.29 111.889 167.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.75 12.39 1.05 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.738 -0.664 . . . . 2.14 114.598 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -98.27 117.5 64.76 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 117.212 0.506 . . . . 1.75 109.873 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.39 -33.89 98.23 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.824 2.349 . . . . 1.09 112.02 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.69 -46.23 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 2.7 110.892 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.51 -26.95 62.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 2.3 111.776 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -65.64 -52.46 51.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.5 -0.318 . . . . 0.78 111.718 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.83 -31.51 50.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.79 0.328 . . . . 1.03 110.869 -177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.95 -26.63 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.064 -0.254 . . . . 3.35 111.048 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -36.47 38.75 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.276 -1.009 . . . . 1.22 108.276 177.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -61.65 -44.7 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.041 -0.981 . . . . 0.49 110.686 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -55.56 -41.06 72.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.12 110.709 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.66 -55.3 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.745 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 26' ' ' LEU . 52.5 mt -65.97 -37.13 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 121.005 -0.278 . . . . 0.66 111.008 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.57 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.63 111.152 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' OE1' ' HE2' ' A' ' 69' ' ' LYS . 42.0 tt0 -71.39 -43.33 67.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 2.46 110.734 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 68' ' ' GLU . 75.3 mmtt -91.76 18.72 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 2.41 111.477 -173.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.77 131.21 42.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.31 -0.405 . . . . 0.78 110.943 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.55 108.42 1.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.298 1.999 . . . . 1.34 111.768 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.99 -154.71 23.19 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.899 -0.667 . . . . 0.77 112.106 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.99 130.24 19.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.498 2.132 . . . . 0.9 111.848 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.93 128.3 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.094 0.473 . . . . 1.5 111.018 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HD2' HD21 ' A' ' 103' ' ' ASN . 32.2 mmmt -109.31 113.8 26.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.007 -0.738 . . . . 2.58 109.007 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.7 t -111.89 134.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.34 -0.391 . . . . 1.16 111.263 -175.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 55.7 tp -125.78 130.73 52.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 1.35 110.047 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.432 ' HB ' HG12 ' A' ' 106' ' ' VAL . 59.4 t -113.46 126.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.437 -0.347 . . . . 1.01 110.366 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' CG ' HG22 ' A' ' 27' ' ' ILE . 16.3 mt -104.62 99.18 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.079 -0.341 . . . . 1.37 110.079 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 108' ' ' THR . 27.5 pt -87.02 131.93 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.422 -0.585 . . . . 1.4 109.422 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.479 HG22 ' HB ' ' A' ' 28' ' ' VAL . 12.2 t -132.18 152.56 51.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.982 0.42 . . . . 2.07 111.145 -174.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 -173.14 28.76 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.65 -0.704 . . . . 1.09 112.481 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 m -89.2 99.23 12.27 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.699 -0.482 . . . . 2.22 109.699 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.64 122.35 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.284 -0.416 . . . . 1.13 110.194 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.85 155.23 72.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.621 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -42.88 -45.07 9.09 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.824 2.349 . . . . 1.3 112.533 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 8.2 m-20 -53.9 -51.9 62.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.853 -0.612 . . . . 2.43 110.701 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.74 -30.33 66.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.579 -0.737 . . . . 2.37 111.171 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -59.23 -43.28 92.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 2.81 109.906 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.5 m -67.18 -41.07 86.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.446 -0.797 . . . . 1.33 110.461 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 29.4 mmtp -65.57 -43.46 89.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.732 -0.667 . . . . 2.41 111.609 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.621 0.248 . . . . 0.78 110.8 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -69.21 -32.15 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.059 0.457 . . . . 2.44 110.56 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -76.52 -46.23 27.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 2.85 110.4 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.44 95.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.63 110.964 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.29 70.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.381 . . . . 0.64 111.07 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.47 -47.49 72.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 2.62 110.239 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.56 -41.65 65.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.843 -0.617 . . . . 2.66 110.344 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -64.63 -24.33 67.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.844 -0.616 . . . . 0.58 111.44 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.8 -30.11 69.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 3.77 110.339 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.45 -6.77 59.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 3.24 110.509 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.84 7.95 37.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.925 -0.579 . . . . 2.65 109.711 175.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.433 HD21 ' HD2' ' A' ' 75' ' ' LYS . 56.9 t30 67.37 38.96 3.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.936 0.874 . . . . 2.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.597 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 46.2 t -109.6 137.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.139 -0.937 . . . . 0.99 110.141 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -120.98 149.8 42.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.642 0.258 . . . . 4.06 110.382 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 78' ' ' VAL . 33.8 m -122.66 141.71 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 1.58 111.145 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -140.97 147.33 38.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.369 -0.378 . . . . 3.0 110.229 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 12.0 m -97.42 130.07 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.234 0.54 . . . . 0.86 111.285 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 115' ' ' ALA . 91.2 t -105.47 125.74 60.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.444 -0.798 . . . . 1.51 109.987 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 1.55 110.54 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -148.66 147.15 23.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 1.52 110.006 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' HD22 ' A' ' 34' ' ' LEU . 66.4 Cg_exo -40.0 -50.92 3.27 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.834 3.023 . . . . 1.05 114.252 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -60.45 -30.73 69.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.322 . . . . 2.48 111.692 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.51 -38.92 88.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.062 0.458 . . . . 2.7 109.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -67.71 -48.93 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.7 111.43 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.63 -31.61 71.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 2.33 110.529 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.0 -49.19 78.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 3.61 109.985 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.87 -32.3 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 3.39 111.119 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 mm -60.63 -50.55 79.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.128 0.49 . . . . 0.81 109.948 175.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.49 -41.22 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.614 -0.721 . . . . 2.76 110.416 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.426 -0.806 . . . . 2.57 110.973 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -86.23 -36.66 19.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 3.02 111.42 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.7 t -64.06 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.393 -0.367 . . . . 1.4 111.501 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.225 0.536 . . . . 4.14 111.988 -172.185 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 121.052 0.453 . . . . 3.31 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 6.6 mp -114.73 124.14 51.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 1.76 109.737 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -113.34 128.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 0.46 111.18 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 19.8 t -112.7 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.602 -0.518 . . . . 0.52 109.602 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 50' ' ' ILE . 80.0 mt -110.77 112.11 23.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.973 0.416 . . . . 1.33 109.949 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.86 130.86 53.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.205 -173.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.9 95.84 4.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.278 -0.419 . . . . 1.37 110.943 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.413 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 8.2 t -175.26 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.091 -0.707 . . . . 3.23 109.091 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -140.95 83.58 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.367 0.603 . . . . 4.58 109.731 167.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 36.7 t70 -125.73 171.27 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.124 -0.944 . . . . 2.29 108.886 173.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 50.5 mtpt -88.31 -69.37 0.7 Allowed 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.165 -0.614 . . . . 3.77 110.814 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 22.3 pttm -59.13 -39.77 83.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 3.23 111.964 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.4 tm? -59.16 -44.77 92.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.172 0.51 . . . . 1.39 109.992 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.09 -46.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.579 -0.737 . . . . 0.97 111.454 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 22.5 mm-40 -52.67 -57.13 11.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.778 0.323 . . . . 2.42 111.584 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.9 mm-40 -61.72 -48.06 82.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.429 . . . . 2.53 111.081 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.86 98.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.388 . . . . 0.61 111.06 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.833 -0.621 . . . . 2.73 110.427 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.63 -44.81 95.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.742 -0.663 . . . . 2.52 111.31 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 25.2 mmt -62.57 -38.7 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 2.61 110.74 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.57 -51.65 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.75 110.99 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.58 -39.21 87.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.454 . . . . 2.57 110.543 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -60.83 -36.92 80.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.661 -0.699 . . . . 2.98 110.935 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.64 17.58 21.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 0.76 111.422 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 65.81 43.96 2.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.847 -0.615 . . . . 2.22 112.241 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.0 mm? -103.3 142.55 34.0 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.919 -0.4 . . . . 1.11 109.919 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.31 97.82 8.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.263 -0.643 . . . . 2.13 109.263 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.5 tt -109.19 127.09 53.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 1.49 110.406 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 26' ' ' LEU . 27.8 mt -122.62 133.11 69.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.545 -0.752 . . . . 1.31 109.822 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -81.19 115.8 20.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.2 110.18 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 53' ' ' PRO . 74.2 t -94.27 147.24 33.0 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.018 -0.537 . . . . 1.95 110.532 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.2 161.24 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.117 2.545 . . . . 2.29 111.476 165.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.33 12.79 1.7 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 114.701 0.64 . . . . 2.14 114.701 -169.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 p -110.43 134.2 20.9 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 117.451 0.626 . . . . 1.75 110.852 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.49 -25.79 20.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 123.19 2.593 . . . . 1.09 113.692 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.16 -44.06 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 2.7 110.764 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.901 -0.591 . . . . 2.3 111.149 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -62.39 -53.2 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.78 111.381 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 41.8 mt -68.74 -31.89 52.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.905 -0.589 . . . . 1.03 111.18 -174.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -72.69 -29.98 63.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.778 -0.369 . . . . 3.35 110.371 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.3 tp -72.29 -32.18 66.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.298 -0.63 . . . . 1.22 109.298 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -59.38 -41.26 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.383 174.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.79 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 2.12 110.818 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.38 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.851 -0.613 . . . . 2.21 109.873 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.68 -41.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.66 111.758 -175.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.42 -27.69 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 0.63 111.683 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.82 -22.83 36.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.471 0.653 . . . . 2.46 110.043 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -101.96 10.26 39.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.567 -0.742 . . . . 2.41 110.865 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.01 136.8 19.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 0.78 110.881 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -86.28 108.68 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.392 2.061 . . . . 1.34 112.426 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.3 -163.03 14.25 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.787 -0.72 . . . . 0.77 112.529 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.65 133.48 39.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.001 2.467 . . . . 0.9 111.759 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.51 141.57 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.276 -0.42 . . . . 1.5 110.926 -176.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.69 128.51 49.74 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.25 -1.019 . . . . 2.58 108.25 169.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 104' ' ' VAL . 32.9 t -124.11 128.88 74.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.819 0.342 . . . . 1.16 110.552 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.1 tp -120.12 120.67 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 1.35 110.299 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.29 117.64 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.851 -0.613 . . . . 1.01 110.223 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.5 99.63 10.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 1.37 110.511 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.84 110.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.893 -0.594 . . . . 1.4 109.497 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 7.8 m -88.61 124.72 34.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.824 0.345 . . . . 2.07 110.473 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.65 160.99 34.4 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.458 -0.657 . . . . 1.09 111.458 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 p -70.56 122.75 20.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.946 0.403 . . . . 2.22 110.3 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.58 123.12 26.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.13 110.675 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.89 141.28 95.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.302 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -39.68 -49.83 3.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.864 3.042 . . . . 1.3 114.141 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 2.0 p-10 -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.532 0.206 . . . . 2.43 111.127 -176.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.96 -35.26 59.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 2.37 110.675 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 89' ' ' LYS . 3.3 tmmm? -65.78 -36.81 84.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.827 -0.624 . . . . 2.81 109.625 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.4 m -66.5 -43.01 86.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 1.33 110.953 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 43.1 mtmt -64.13 -38.5 91.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.129 0.49 . . . . 2.41 110.082 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.56 77.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.731 -0.668 . . . . 0.78 109.953 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -60.7 -44.94 95.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.751 -0.659 . . . . 2.44 110.179 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -61.12 -50.58 72.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.657 -0.701 . . . . 2.85 111.113 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.55 96.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 111.308 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.93 86.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.495 -0.321 . . . . 0.64 111.425 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.8 -37.05 86.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.586 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -78.12 -20.41 52.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 2.66 110.507 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.11 31.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.58 111.677 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.23 -25.89 62.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 3.77 111.624 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -61.88 -25.12 67.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 3.24 111.71 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -113.79 31.14 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 2.65 111.11 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 59.79 40.95 18.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.671 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 76' ' ' VAL . 46.1 t -96.38 114.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.973 -0.38 . . . . 0.99 109.973 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 3.7 mpt_? -111.83 145.27 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.194 -0.457 . . . . 4.06 110.472 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.44 134.98 54.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.276 -0.42 . . . . 1.58 110.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.33 152.72 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.315 -0.402 . . . . 3.0 110.009 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 m -113.96 128.73 56.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.022 0.439 . . . . 0.86 110.829 -175.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.62 144.83 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 1.51 110.177 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 p -112.0 -13.88 13.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.338 0.59 . . . . 1.55 110.706 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 47.8 m -150.09 159.17 35.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.412 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.58 -23.05 54.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.999 2.466 . . . . 1.05 113.279 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.6 -51.67 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.682 -0.235 . . . . 2.48 111.515 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 1.8 mp0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.758 0.313 . . . . 2.7 110.295 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.11 -46.48 82.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.83 -0.623 . . . . 0.7 110.791 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 2.33 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -70.21 -46.2 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 3.61 110.923 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -63.39 -39.76 95.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 3.39 111.011 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.28 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.656 0.265 . . . . 0.81 110.435 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 2.76 110.87 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.73 -40.74 92.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.199 0.523 . . . . 2.57 109.981 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 71.9 t80 -63.92 -47.78 79.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.08 -0.963 . . . . 3.02 111.352 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 p -64.65 -31.2 72.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.238 -0.437 . . . . 1.4 111.247 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.747 0.785 . . . . 4.14 109.39 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.832 0.349 . . . . 3.31 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.22 103.62 13.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.505 -0.554 . . . . 1.76 109.505 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 25.6 t -115.79 149.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.9 -171.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.19 116.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.649 -0.25 . . . . 0.52 110.498 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 66' ' ' ILE . 5.9 mp -106.38 119.95 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.923 -0.769 . . . . 1.33 108.923 171.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.448 HG12 ' OG ' ' A' ' 29' ' ' SER . 13.4 tt -113.86 122.62 68.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.296 0.57 . . . . 1.36 111.345 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.21 99.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.536 -1.283 . . . . 1.37 107.536 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.465 ' CB ' HG12 ' A' ' 35' ' ' ILE . 3.0 m -105.66 142.35 35.55 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.377 0.88 . . . . 3.23 113.377 -163.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -79.17 -169.74 1.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.316 -1.311 . . . . 4.58 108.746 165.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -23.12 134.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.619 0.97 . . . . 2.29 113.619 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 57.2 mtpt -58.9 -17.96 28.97 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.283 1.216 . . . . 3.77 114.283 -166.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.69 -36.21 76.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.889 0.313 . . . . 3.23 110.698 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 27' ' ' ILE . 1.8 tt -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.418 -0.356 . . . . 1.39 110.262 176.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 29' ' ' SER . 43.8 mt -56.55 -44.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.7 . . . . 0.97 110.489 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 38.6 mt-10 -55.31 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 2.42 111.425 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.42 -32.29 73.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.551 -0.295 . . . . 2.53 111.756 -175.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.99 65.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.383 . . . . 0.61 110.998 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -66.98 -35.37 79.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 2.73 110.922 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.0 mttt -59.85 -37.91 80.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 2.52 110.754 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.99 -35.14 64.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 2.61 110.837 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.79 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.336 0.589 . . . . 0.75 110.247 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.31 -38.23 90.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 2.57 109.936 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -71.4 -22.96 61.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 2.98 110.488 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.17 8.7 42.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.853 -0.612 . . . . 0.76 111.323 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 59.22 38.92 23.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.518 0.675 . . . . 2.22 110.764 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.9 mt -102.48 168.03 9.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.782 -0.645 . . . . 1.11 110.351 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -109.0 101.33 10.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.069 -0.715 . . . . 2.13 109.069 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -104.93 128.49 53.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.383 0.611 . . . . 1.49 110.725 -176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.1 mt -117.14 130.0 72.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.11 -0.95 . . . . 1.31 110.074 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.8 p -101.96 99.09 9.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.163 -0.472 . . . . 1.2 111.377 -177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.69 82.16 45.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 1.95 110.326 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HB3' ' H ' ' A' ' 29' ' ' SER . 92.1 Cg_endo -90.79 102.41 0.27 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 122.136 1.89 . . . . 2.29 113.602 170.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.95 -51.89 0.14 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.161 -1.495 . . . . 2.14 111.196 158.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -119.77 163.1 29.47 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.136 -0.532 . . . . 1.75 109.577 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.92 -47.81 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 121.382 1.388 . . . . 1.09 110.706 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.01 -36.27 74.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.322 -0.854 . . . . 2.7 111.201 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.52 -56.88 15.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.3 111.576 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -59.65 -39.09 83.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.78 111.381 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.8 -35.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 1.03 110.955 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -61.41 -48.55 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 3.35 110.797 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 66' ' ' ILE . 43.0 tp -66.92 -33.17 75.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.937 -0.394 . . . . 1.22 109.937 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.04 90.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.49 110.412 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.29 -42.41 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.725 -0.67 . . . . 2.12 110.478 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.702 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.2 mt-10 -60.55 -48.22 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 2.21 111.105 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 26' ' ' LEU . 67.5 mt -60.62 -35.65 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.928 -0.309 . . . . 0.66 110.827 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -74.39 -39.95 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.63 111.164 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.84 -35.25 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 2.46 110.666 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 77.1 mttt -90.5 0.67 57.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 2.41 111.064 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.76 120.57 67.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.78 110.82 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.6 108.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.232 1.955 . . . . 1.34 112.086 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.55 15.9 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.738 -0.744 . . . . 0.77 112.668 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.78 119.94 7.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.079 2.519 . . . . 0.9 112.86 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 67' ' ' ALA . 7.1 p -140.66 139.82 34.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 1.5 110.256 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -146.34 109.51 4.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 2.58 109.811 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 3.5 p -117.77 131.83 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.323 0.583 . . . . 1.16 111.266 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -109.57 130.33 55.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.784 . . . . 1.35 110.008 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 43.4 t -107.16 129.17 61.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.675 -0.491 . . . . 1.01 109.675 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.03 128.29 54.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.409 -0.36 . . . . 1.37 111.069 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.8 mt -105.96 110.35 31.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.85 -0.796 . . . . 1.4 108.85 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 44.7 p -84.36 129.4 34.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.237 0.541 . . . . 2.07 111.578 -175.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.25 -148.65 18.79 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.585 -0.734 . . . . 1.09 111.766 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.879 -0.415 . . . . 2.22 109.879 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.37 111.92 17.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.75 0.309 . . . . 1.13 111.002 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 26.8 t70 -58.06 145.51 72.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.869 -0.605 . . . . 2.07 109.763 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 85' ' ' ASP . 20.9 Cg_exo -32.44 -47.72 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 124.428 3.419 . . . . 1.3 115.209 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.18 -48.63 72.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 2.43 111.32 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -36.13 80.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 2.37 110.379 175.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.8 -35.39 79.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 2.81 110.452 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.9 m -59.16 -48.94 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.33 110.567 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -24.03 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 2.41 111.31 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.33 79.87 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.482 -0.562 . . . . 0.78 109.482 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -79.8 -53.34 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.43 -0.805 . . . . 2.44 110.917 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.5 -52.46 63.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 2.85 111.47 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.31 71.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.508 -0.314 . . . . 0.63 111.331 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.04 -50.52 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.619 0.247 . . . . 0.64 111.282 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 37.5 mt-10 -68.47 -19.7 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 2.62 111.247 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.78 -50.61 8.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.198 0.523 . . . . 2.66 110.31 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.2 -13.69 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.016 -0.538 . . . . 0.58 112.216 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 12.7 ptm180 -59.35 -20.53 55.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.703 0.287 . . . . 3.77 111.502 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.98 -24.4 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.492 . . . . 3.24 110.51 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -101.48 18.98 18.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.779 -0.646 . . . . 2.65 109.796 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.67 29.38 8.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.933 -1.031 . . . . 2.0 110.685 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.472 HG22 ' CG1' ' A' ' 76' ' ' VAL . 61.8 t -86.28 134.61 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.583 -0.735 . . . . 0.99 109.249 174.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -135.24 136.7 41.92 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.802 0.334 . . . . 4.06 110.782 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 78' ' ' VAL . 34.2 t -118.81 126.04 74.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.135 -0.484 . . . . 1.58 110.483 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -127.22 137.39 52.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.268 -0.424 . . . . 3.0 110.568 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.7 m -94.07 116.93 29.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.86 110.306 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' THR . 7.0 m -111.45 109.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.506 0.67 . . . . 1.51 110.599 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -78.45 -14.81 59.2 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.543 -0.753 . . . . 1.55 111.032 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.9 p -136.95 156.54 75.78 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.249 -0.432 . . . . 1.52 110.689 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.67 -34.65 83.51 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.673 2.248 . . . . 1.05 112.158 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.1 -41.92 99.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 2.48 111.002 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 62.6 mm-40 -65.33 -38.36 89.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.44 -0.346 . . . . 2.7 110.765 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -58.39 -51.9 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.7 110.432 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 2.33 110.538 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 40.7 ttt180 -57.84 -56.82 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.442 -0.799 . . . . 3.61 110.87 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.456 ' O ' ' HD2' ' A' ' 122' ' ' PHE . 28.3 m95 -66.45 -36.35 82.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 3.39 111.073 -175.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.4 mt -56.17 -38.68 55.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.81 110.44 176.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.62 -44.55 42.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 2.76 110.632 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.65 -41.57 97.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.57 111.596 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.456 ' HD2' ' O ' ' A' ' 118' ' ' TRP . 70.0 m-85 -82.46 -16.26 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 3.02 112.397 -176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 p -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 1.4 110.518 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.14 110.056 177.157 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.716 0.293 . . . . 3.31 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 47' ' ' LEU . 84.6 mt -110.46 105.7 14.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.897 -0.592 . . . . 1.76 109.681 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 24.1 t -115.18 144.29 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.968 -176.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.97 118.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.603 0.24 . . . . 0.52 110.412 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 5.1 mp -106.33 121.05 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.405 -0.591 . . . . 1.33 109.405 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 79' ' ' LEU . 2.4 tp -106.29 121.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.143 0.497 . . . . 1.36 111.077 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -99.86 95.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.788 -0.642 . . . . 1.37 109.501 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -173.9 151.57 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 3.23 109.485 175.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -113.06 83.13 1.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.23 -0.656 . . . . 4.58 109.23 170.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.49 159.22 32.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.023 -0.99 . . . . 2.29 108.911 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -91.16 -64.73 1.09 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.327 -0.549 . . . . 3.77 110.224 174.681 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.31 -36.0 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.947 -0.57 . . . . 3.23 111.839 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.95 -50.13 57.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.76 -40.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.97 111.286 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 55.2 mt-10 -56.21 -54.56 43.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 2.42 110.993 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 41' ' ' MET . 24.1 tt0 -67.37 -42.0 84.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 2.53 111.228 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.068 0.461 . . . . 0.61 110.584 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 65.8 ttt180 -67.28 -42.17 84.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.788 -0.642 . . . . 2.73 110.589 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.0 mtpp -64.56 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 2.52 110.782 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.565 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 84.8 mtp -58.76 -49.96 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 2.61 110.387 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -61.42 -37.89 85.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.75 110.655 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.37 -43.71 93.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.167 -0.47 . . . . 2.57 110.941 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.95 -46.01 72.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 2.98 111.25 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.85 -0.83 52.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.176 -0.465 . . . . 0.76 111.675 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.27 35.99 12.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.803 -0.635 . . . . 2.22 111.37 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.5 mt -93.33 164.6 13.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.183 -0.673 . . . . 1.11 109.183 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.55 99.99 11.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 2.13 110.538 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.4 tm? -90.74 121.66 32.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.715 -0.675 . . . . 1.49 109.302 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.502 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 44.1 mm -120.72 117.77 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.13 -0.486 . . . . 1.31 110.323 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -95.46 98.98 10.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.224 -0.443 . . . . 1.2 111.39 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.52 81.47 35.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 1.95 110.404 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -90.43 102.27 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.226 1.951 . . . . 2.29 113.307 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.19 -51.27 0.15 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.295 -1.431 . . . . 2.14 111.156 161.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 10.7 m -119.82 160.27 43.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 108.964 -0.754 . . . . 1.75 108.964 166.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -63.28 -43.96 16.61 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.415 1.41 . . . . 1.09 111.109 170.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.04 -18.42 60.84 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.706 -0.679 . . . . 2.7 111.272 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 39.3 tt0 -61.7 -52.56 63.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 2.3 110.284 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.31 72.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 0.78 110.793 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB1' ' A' ' 95' ' ' ALA . 29.4 mm -61.95 -46.15 97.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.078 0.466 . . . . 1.03 110.257 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -66.94 -39.68 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 3.35 111.059 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.51 -32.29 71.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.789 0.328 . . . . 1.22 110.311 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.49 110.065 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 60' ' ' ILE . 27.2 mt-30 -59.49 -41.67 90.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.624 -0.716 . . . . 2.12 110.124 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 49.9 mm-40 -58.76 -55.77 30.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.627 -0.715 . . . . 2.21 110.838 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.02 -40.4 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.66 110.925 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.67 94.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.219 0.452 . . . . 0.63 112.219 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 8.1 pt-20 -81.98 -27.5 33.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.759 -0.376 . . . . 2.46 111.473 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.0 mmtp -86.08 -24.95 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.136 -0.226 . . . . 2.41 111.6 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 74' ' ' VAL . . . -74.83 122.63 87.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.766 -0.197 . . . . 0.78 110.983 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.71 108.27 1.42 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.523 2.149 . . . . 1.34 112.022 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.71 -179.0 16.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.854 -0.612 . . . . 0.77 112.044 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.44 124.71 13.74 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.914 2.409 . . . . 0.9 111.79 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 70' ' ' ALA . 19.8 t -118.19 132.88 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 1.5 110.608 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -125.83 103.09 7.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.057 -0.72 . . . . 2.58 109.057 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' A' ' 104' ' ' VAL . 2.9 p -108.84 129.4 63.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.559 0.695 . . . . 1.16 111.174 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -102.63 125.53 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.171 -0.922 . . . . 1.35 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 60' ' ' ILE . 62.4 t -100.9 115.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.493 0.663 . . . . 1.01 109.698 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 27' ' ' ILE . 12.0 tp -101.93 117.52 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.985 -1.007 . . . . 1.37 109.595 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt -116.2 110.61 32.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 1.4 110.265 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.3 m -107.43 131.14 54.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.432 -0.349 . . . . 2.07 111.235 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.09 -177.92 16.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.831 -0.7 . . . . 1.09 113.053 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -81.44 99.87 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 2.22 109.912 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 130.6 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.986 -0.552 . . . . 1.13 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -75.59 160.03 80.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 2.07 109.964 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -45.68 -49.92 10.14 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.012 2.475 . . . . 1.3 113.237 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.09 -35.87 76.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 2.43 110.804 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -61.74 -40.67 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 2.37 110.43 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 2.81 110.481 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -62.85 -45.01 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.873 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -60.92 -46.04 92.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 2.41 110.933 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.07 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.78 110.476 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -59.79 -47.9 83.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.032 -0.531 . . . . 2.44 110.682 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 24.8 ttpp -65.31 -55.45 18.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 2.85 110.639 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.656 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.694 -0.685 . . . . 0.63 111.946 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -57.32 -51.35 69.73 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.64 111.049 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.16 -41.37 94.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.994 0.426 . . . . 2.62 110.61 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 41.1 mt-10 -62.83 -41.02 99.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 2.66 110.978 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.98 34.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.512 . . . . 0.58 111.871 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 68.2 ttt180 -63.5 -11.68 25.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.404 . . . . 3.77 111.15 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -66.55 -21.4 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.203 0.525 . . . . 3.24 110.017 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -106.31 22.34 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.544 -0.753 . . . . 2.65 110.11 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 62.4 29.2 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.738 -0.664 . . . . 2.0 111.762 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.496 HG22 ' CG1' ' A' ' 76' ' ' VAL . 62.8 t -78.91 108.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.432 -0.581 . . . . 0.99 109.432 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -111.95 134.2 53.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.009 -0.541 . . . . 4.06 110.246 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.49 138.43 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.978 0.418 . . . . 1.58 111.134 -177.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.55 ' HA ' ' HE ' ' A' ' 107' ' ' ARG . 3.5 mmp_? -138.33 122.74 18.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.096 -0.502 . . . . 3.0 110.406 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.1 m -86.54 138.81 31.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 0.86 110.234 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.2 t -118.4 126.09 74.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.882 -0.599 . . . . 1.51 110.569 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -114.29 -27.24 7.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 1.55 110.587 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.3 t -128.26 140.2 37.65 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.191 -0.67 . . . . 1.52 109.191 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -54.97 -25.09 42.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.701 2.934 . . . . 1.05 114.244 -172.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.08 -26.24 62.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.614 0.245 . . . . 2.48 110.868 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.62 -44.68 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.459 -0.337 . . . . 2.7 110.562 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.439 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -57.14 -49.69 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.7 110.652 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 31.3 ttpt -63.91 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.239 -0.891 . . . . 2.33 110.649 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.0 ttm105 -74.03 -48.43 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.752 -0.658 . . . . 3.61 110.996 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.424 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 7.6 m95 -56.96 -51.16 70.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.47 -0.332 . . . . 3.39 111.077 -177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.8 mt -55.21 -47.41 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.81 111.065 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.19 -43.02 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.447 -0.342 . . . . 2.76 111.281 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.11 -38.62 85.95 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.539 -0.3 . . . . 2.57 111.312 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 47.9 m-85 -77.65 -28.23 51.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.237 -0.185 . . . . 3.02 111.374 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m -69.82 -48.05 60.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.479 -0.563 . . . . 1.4 109.479 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--O 1.235 0.294 0 CA-C-O 121.388 0.613 . . . . 4.14 111.245 173.532 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 27.8 mmt180 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.377 0.608 . . . . 3.31 110.634 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -113.24 113.89 25.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.954 -0.758 . . . . 1.76 108.954 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 66' ' ' ILE . 46.4 t -118.36 145.87 23.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.798 -0.637 . . . . 0.46 111.456 -168.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.37 122.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.271 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.04 110.96 23.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.889 -0.596 . . . . 1.33 109.705 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 tp -114.95 136.44 51.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.142 0.496 . . . . 1.36 110.403 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' HB ' ' HA2' ' A' ' 54' ' ' GLY . 32.7 m -88.57 152.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 1.37 109.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 m -69.64 146.49 51.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.956 0.725 . . . . 3.23 112.956 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.549 ' HB3' HG21 ' A' ' 81' ' ' THR . 5.2 p-10 -175.27 -170.94 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.383 -1.28 . . . . 4.58 107.617 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 33' ' ' LYS . 25.4 t70 -35.02 118.08 0.42 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.564 0.54 . . . . 2.29 111.016 174.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.27 -24.16 66.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.506 -0.77 . . . . 3.77 112.475 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 8.0 ttpm? -56.94 -48.14 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 3.23 110.326 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 30' ' ' ASN . 8.8 tt -63.24 -43.13 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.39 110.424 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.4 mt -55.42 -46.39 78.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.154 -0.476 . . . . 0.97 110.122 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.9 mt-10 -65.62 -50.58 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 2.42 111.603 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 21.5 mm-40 -63.17 -39.79 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.773 0.321 . . . . 2.53 111.145 -175.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.02 96.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.079 0.466 . . . . 0.61 110.263 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 78.7 ttt180 -64.79 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.756 -0.656 . . . . 2.73 111.077 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.6 mttp -57.7 -48.04 80.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 2.52 111.091 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -72.72 -29.78 63.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.478 -0.328 . . . . 2.61 111.15 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.2 58.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.338 -0.392 . . . . 0.75 110.306 176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.7 -27.98 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.107 -0.497 . . . . 2.57 110.25 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.97 -26.38 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.625 -0.716 . . . . 2.98 111.043 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.7 16.49 18.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.123 0.487 . . . . 0.76 110.818 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.83 49.93 13.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.086 -0.961 . . . . 2.22 111.131 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -98.71 149.47 22.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.453 -0.573 . . . . 1.11 109.453 175.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -81.3 98.82 8.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 2.13 109.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 1.6 tm? -89.16 120.56 30.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.752 -0.462 . . . . 1.49 109.752 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.52 122.81 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.137 -0.483 . . . . 1.31 110.223 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 m -98.42 128.66 44.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 1.2 110.322 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' PRO . 14.1 m -116.79 173.08 3.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.302 -0.408 . . . . 1.95 109.975 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.689 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.2 Cg_endo -47.21 159.69 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.747 2.298 . . . . 2.29 111.891 165.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -71.96 6.85 8.6 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 115.896 -0.593 . . . . 2.14 114.37 -171.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -96.36 138.49 21.52 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.372 0.586 . . . . 1.75 111.153 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -70.5 -22.84 28.14 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.166 2.577 . . . . 1.09 112.91 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.5 -50.78 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 2.7 110.65 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.53 -34.61 77.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.906 -0.588 . . . . 2.3 111.291 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.67 -54.67 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 0.78 111.178 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.74 -36.81 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.432 -0.349 . . . . 1.03 111.201 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -63.74 -31.33 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.956 -0.297 . . . . 3.35 110.847 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 66' ' ' ILE . 30.0 tp -76.85 -33.45 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.738 -0.467 . . . . 1.22 109.738 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -65.48 -29.43 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.49 110.892 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -42.78 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 2.12 109.801 172.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.38 -38.21 87.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.629 -0.714 . . . . 2.21 109.739 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 62' ' ' LEU . 50.2 mm -53.98 -58.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.7 176.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.49 70.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.63 111.174 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.34 -32.39 70.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 2.46 110.552 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -110.04 21.19 17.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.709 -0.678 . . . . 2.41 110.614 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -100.26 112.89 65.01 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.216 -0.447 . . . . 0.78 111.795 -176.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 8.8 Cg_exo -76.16 109.0 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.885 2.39 . . . . 1.34 111.782 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 -154.84 21.42 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.572 -0.74 . . . . 0.77 112.83 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.32 119.78 6.82 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.093 2.529 . . . . 0.9 111.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 7.7 p -131.49 138.04 53.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 1.5 111.347 -177.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -133.03 137.79 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.655 -0.869 . . . . 2.58 108.655 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.9 t -121.92 125.39 73.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.041 0.448 . . . . 1.16 111.059 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 ' HD2' ' A' ' 107' ' ' ARG . 66.9 tp -101.14 121.64 42.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.071 -0.513 . . . . 1.35 109.902 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.405 ' HB ' HG12 ' A' ' 106' ' ' VAL . 58.6 t -103.43 118.0 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.876 0.37 . . . . 1.01 110.619 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -98.8 114.24 26.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.208 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' THR . 11.3 pt -112.89 127.0 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.756 -0.461 . . . . 1.4 109.756 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 30' ' ' ASN . 15.1 t -101.79 143.28 31.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 2.07 111.577 -172.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.58 -166.82 54.33 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.821 -0.627 . . . . 1.09 112.063 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -102.68 110.33 22.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.848 0.356 . . . . 2.22 110.195 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 136.68 54.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.695 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.59 144.53 88.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.823 -0.626 . . . . 2.07 110.132 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -37.47 -48.93 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.595 3.53 . . . . 1.3 114.841 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.66 -50.73 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.835 0.35 . . . . 2.43 111.175 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.48 -31.13 69.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 2.37 110.497 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.32 -45.45 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.737 -0.665 . . . . 2.81 109.83 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.0 m -71.37 -40.88 70.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.76 -0.655 . . . . 1.33 110.949 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.9 -47.78 79.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.804 -0.635 . . . . 2.41 110.67 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.7 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.78 110.677 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.44 -51.1 71.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.44 110.718 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -61.99 -42.16 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 2.85 110.61 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.57 68.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.802 -0.635 . . . . 0.63 110.976 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.92 78.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.64 112.102 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.56 -38.76 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.762 -0.375 . . . . 2.62 110.818 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.38 -40.56 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.087 0.47 . . . . 2.66 110.317 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -70.49 -15.83 62.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.876 -0.602 . . . . 0.58 111.661 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -62.67 -17.29 60.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 3.77 111.08 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.36 -36.31 75.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 3.24 110.418 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -100.44 18.16 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.574 . . . . 2.65 109.724 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER 65.4 28.81 11.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.949 -1.023 . . . . 2.0 111.727 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.516 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 41.0 t -79.59 99.57 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 173.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -116.02 139.54 50.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 4.06 111.133 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' HB ' ' A' ' 78' ' ' VAL . 27.0 m -96.53 144.58 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.001 -0.545 . . . . 1.58 111.029 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HD3' ' CD2' ' A' ' 118' ' ' TRP . 98.8 mtt180 -139.14 134.83 33.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.911 -0.586 . . . . 3.0 109.716 175.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 28.0 m -89.33 125.17 35.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.973 0.416 . . . . 0.86 110.893 -177.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.5 m -118.69 131.32 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.012 -0.54 . . . . 1.51 110.721 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.1 p -113.97 -18.21 11.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.419 . . . . 1.55 111.026 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 p -135.6 152.82 76.94 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 116.096 -0.502 . . . . 1.52 110.513 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.12 -41.92 55.41 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.732 2.288 . . . . 1.05 112.912 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.51 -44.63 69.26 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.066 -0.515 . . . . 2.48 111.805 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 2.7 110.794 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.63 84.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.7 110.654 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.8 -44.69 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 2.33 110.462 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -61.48 -49.77 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.601 -0.727 . . . . 3.61 111.081 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.499 ' CD2' ' HD3' ' A' ' 107' ' ' ARG . 9.9 m95 -65.09 -42.09 94.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 3.39 111.624 -177.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.1 mt -65.83 -42.68 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.667 0.27 . . . . 0.81 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.59 -29.41 67.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.793 0.33 . . . . 2.76 110.236 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -67.78 -43.51 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.22 -0.659 . . . . 2.57 109.22 174.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.85 -23.38 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.029 -0.987 . . . . 3.02 110.406 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.1 m -76.97 -8.08 56.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.445 -0.798 . . . . 1.4 110.999 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.842 0.353 . . . . 4.14 110.755 -178.749 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.46 HH21 ' CD ' ' A' ' 48' ' ' GLU . 39.0 ttt85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.927 -0.397 . . . . 3.31 109.927 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.9 mm? -94.46 118.13 31.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.487 -0.561 . . . . 1.76 109.487 176.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 76' ' ' VAL . 41.6 t -115.02 135.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.46 109.719 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.51 124.61 71.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.904 0.383 . . . . 0.52 110.941 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.6 mm? -111.53 121.44 45.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.973 -0.558 . . . . 1.33 110.001 176.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.0 mm -113.14 121.04 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.301 -0.259 . . . . 1.36 110.301 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 80' ' ' ILE . 6.3 m -102.08 94.61 3.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.688 0.756 . . . . 1.37 110.655 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -174.76 145.5 0.88 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.224 -0.898 . . . . 3.23 109.416 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -111.06 81.62 1.46 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.712 -0.848 . . . . 4.58 108.712 166.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 30.9 t70 -125.8 131.78 52.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.364 -0.835 . . . . 2.29 109.532 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -64.92 -33.93 77.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.438 -0.347 . . . . 3.77 111.608 -176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -80.54 -56.74 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.829 -0.348 . . . . 3.23 110.898 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 38.0 tp -53.68 -50.32 66.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 1.39 111.341 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.661 HG23 HG21 ' A' ' 51' ' ' THR . 57.0 mt -60.49 -51.59 71.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.407 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 26.4 mm-40 -67.35 -42.21 83.87 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.657 -0.417 . . . . 2.42 111.801 -176.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' MET . 27.6 tt0 -66.93 -43.98 81.87 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.848 -0.341 . . . . 2.53 110.581 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.18 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.143 0.496 . . . . 0.61 109.867 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -58.81 -47.3 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.384 -0.826 . . . . 2.73 110.631 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.5 mmtp -60.42 -39.83 88.84 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.229 -0.441 . . . . 2.52 111.051 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 33.6 mmt -66.95 -51.4 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 2.61 110.609 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.8 98.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.75 111.202 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.93 -43.18 96.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 2.57 110.715 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.47 -32.4 74.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 2.98 111.071 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.31 0.41 56.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.398 -0.365 . . . . 0.76 111.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.12 40.86 21.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.449 -0.796 . . . . 2.22 111.29 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 23' ' ' LEU . 51.7 mt -99.12 175.18 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.748 -0.66 . . . . 1.11 110.251 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 22' ' ' ARG . 34.4 tt0 -110.06 111.59 23.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 2.13 110.292 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 tt -126.54 129.49 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 1.49 110.405 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.451 HD12 HD11 ' A' ' 66' ' ' ILE . 51.4 mt -121.93 130.32 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.934 -0.576 . . . . 1.31 110.268 177.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.661 HG21 HG23 ' A' ' 35' ' ' ILE . 14.3 p -93.15 137.11 32.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.219 0.533 . . . . 1.2 110.952 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 53' ' ' PRO . 40.6 t -129.98 149.75 74.02 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.282 -0.872 . . . . 1.95 109.918 -175.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.589 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.9 Cg_endo -49.14 160.43 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.822 2.348 . . . . 2.29 111.493 167.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.77 -1.78 6.88 Favored Glycine 0 C--N 1.317 -0.494 0 N-CA-C 115.503 0.961 . . . . 2.14 115.503 -166.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 5.6 p -70.15 116.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 117.731 0.766 . . . . 1.75 110.507 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 55' ' ' SER . 45.3 Cg_exo -59.93 -47.49 15.32 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.609 2.873 . . . . 1.09 114.306 -174.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' OE2' ' HE3' ' A' ' 91' ' ' LYS . 25.8 tt0 -65.55 -32.66 74.37 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.713 -0.395 . . . . 2.7 110.809 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -56.57 -46.65 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.545 . . . . 2.3 110.949 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.78 111.661 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.31 -35.63 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.082 0.468 . . . . 1.03 110.073 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -69.28 -34.55 74.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 3.35 110.151 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -43.86 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.779 -0.823 . . . . 1.22 108.779 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.6 -45.87 90.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.183 -0.917 . . . . 0.49 110.878 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.2 88.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 2.12 109.686 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -57.55 -48.09 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.701 -0.682 . . . . 2.21 110.64 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 HD12 ' A' ' 50' ' ' ILE . 69.1 mt -73.09 -43.79 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.584 -0.28 . . . . 0.66 111.751 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -67.45 -42.08 83.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.992 0.367 . . . . 0.63 111.992 -174.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.15 -29.19 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 2.46 110.424 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 3.8 mmmp? -101.11 20.17 16.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.747 -0.66 . . . . 2.41 111.11 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 130.68 42.4 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.513 -0.312 . . . . 0.78 111.247 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -86.24 108.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.613 2.208 . . . . 1.34 112.202 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.75 -166.03 22.46 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.887 -0.673 . . . . 0.77 112.366 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.59 127.18 17.48 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.845 2.363 . . . . 0.9 111.799 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.64 143.79 28.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 1.5 110.62 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 103' ' ' ASN . 45.6 mmtm -134.81 117.9 16.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.114 -0.699 . . . . 2.58 109.114 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' ALA . 21.6 t -107.04 125.38 63.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.173 0.511 . . . . 1.16 110.686 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -106.93 119.36 39.13 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.614 -0.721 . . . . 1.35 110.041 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.56 122.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.028 0.442 . . . . 1.01 110.127 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.03 105.89 16.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.703 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.58 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 20.2 pt -89.13 119.54 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.444 -0.576 . . . . 1.4 109.444 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 17.1 m -95.27 123.67 38.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 2.07 111.658 -172.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.7 -149.09 16.82 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.003 -0.617 . . . . 1.09 112.118 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 m -109.94 105.94 15.3 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.185 -0.302 . . . . 2.22 110.185 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.23 125.97 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 1.13 110.492 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.04 146.22 99.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.34 -0.615 . . . . 2.07 109.34 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -42.55 -50.94 5.45 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.259 2.639 . . . . 1.3 113.908 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.69 -39.66 64.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 2.43 110.884 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.6 -33.15 75.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 2.37 111.262 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -65.69 -42.09 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.178 -0.464 . . . . 2.81 110.176 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -72.55 -32.9 66.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.153 0.501 . . . . 1.33 110.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 44.6 tptt -61.78 -42.93 99.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.733 -0.667 . . . . 2.41 109.492 176.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.06 70.53 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.78 110.19 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 -49.83 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 2.44 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mmmm -55.84 -52.82 62.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 2.85 111.18 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.23 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.359 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.59 77.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.64 111.076 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.02 -37.83 81.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 2.62 110.574 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 46.8 mt-10 -72.75 -51.65 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 2.66 110.068 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.84 62.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.316 -0.856 . . . . 0.58 111.79 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -53.04 -34.44 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 3.77 110.898 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -71.7 -11.12 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 3.24 111.189 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -113.82 19.09 16.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.445 . . . . 2.65 110.594 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 11.6 m120 66.24 46.86 1.94 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.38 -0.827 . . . . 2.0 112.203 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.6 t -103.16 106.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.182 0.515 . . . . 0.99 109.774 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -106.26 108.55 20.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.769 -0.65 . . . . 4.06 110.665 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.26 134.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.493 . . . . 1.58 110.605 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -144.45 153.24 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 3.0 110.095 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.439 ' HA ' HG13 ' A' ' 80' ' ' ILE . 27.6 m -87.22 128.18 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.128 -0.487 . . . . 0.86 111.954 -175.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 81' ' ' THR . 12.9 p -122.38 141.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.095 -0.502 . . . . 1.51 110.299 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 p -120.32 -29.57 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.879 0.371 . . . . 1.55 111.643 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -122.13 141.44 34.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 1.52 110.318 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 51.2 Cg_exo -54.26 -36.37 86.22 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.187 2.591 . . . . 1.05 113.156 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -62.57 -29.24 70.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.583 -0.28 . . . . 2.48 111.253 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.527 ' HB2' HG23 ' A' ' 109' ' ' VAL . 48.0 mt-10 -65.57 -55.89 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.007 -0.368 . . . . 2.7 110.007 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.53 79.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.907 -0.588 . . . . 0.7 110.317 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.555 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 58.9 tttm -56.66 -34.65 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.339 -0.846 . . . . 2.33 111.206 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -76.86 -45.07 29.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 3.61 110.629 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.467 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 6.7 m95 -62.59 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 3.39 110.971 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.34 -44.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.81 110.278 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.01 -38.73 89.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 2.76 110.732 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.33 -42.64 91.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.82 -0.627 . . . . 2.57 110.247 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 50.0 m-85 -77.23 -26.37 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 3.02 111.498 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.8 m -71.96 -54.19 10.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.945 0.403 . . . . 1.4 111.498 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 4.14 110.925 -174.004 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.353 0.597 . . . . 3.31 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB3' HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -108.55 113.98 27.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.242 -0.89 . . . . 1.76 108.911 -177.273 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 14.0 t -110.56 131.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.537 -0.302 . . . . 0.46 110.751 -176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.03 106.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.509 . . . . 0.52 110.415 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.611 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.8 mp -106.45 109.78 21.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.159 -0.682 . . . . 1.33 109.159 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tt -110.61 145.25 17.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 1.36 110.613 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t -88.33 152.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.072 -0.714 . . . . 1.37 109.072 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.576 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 12.8 t -59.38 139.19 57.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.289 0.566 . . . . 3.23 111.999 -170.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -152.92 -170.18 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.486 -1.302 . . . . 4.58 107.486 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.0 156.17 7.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.553 0.615 . . . . 2.29 111.905 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.647 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 3.4 mppt? -55.0 -42.53 72.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 3.77 110.823 -175.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -60.08 -40.7 90.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 3.23 111.39 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.66 -49.48 46.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.525 -0.307 . . . . 1.39 110.959 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.69 -46.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.403 . . . . 0.97 110.167 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.1 mm-40 -67.79 -44.25 77.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 2.42 111.66 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.55 -46.69 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.517 -0.473 . . . . 2.53 110.848 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.56 73.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.396 0.617 . . . . 0.61 110.338 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 60.4 ttt180 -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.363 -0.835 . . . . 2.73 111.012 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.5 mttm -59.8 -42.79 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 2.52 110.695 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 83.9 mtp -61.33 -43.7 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.61 110.297 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.35 95.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 0.75 110.837 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.46 -37.77 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 2.57 110.904 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.45 -42.01 59.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 2.98 111.325 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.86 6.14 49.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.816 0.302 . . . . 0.76 111.816 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 64.3 41.02 6.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.97 -0.559 . . . . 2.22 111.25 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 23' ' ' LEU . 19.0 mt -95.83 150.77 20.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 1.11 110.099 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 tp10 -81.58 98.79 8.49 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.625 -0.509 . . . . 2.13 109.625 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.4 113.29 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.542 -0.54 . . . . 1.49 109.542 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 42.5 mm -121.74 127.21 75.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 1.31 110.217 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -111.04 99.7 8.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.339 -0.391 . . . . 1.2 110.823 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 50' ' ' ILE . 50.7 t -127.62 80.52 71.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.307 0.575 . . . . 1.95 110.361 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HB3' ' H ' ' A' ' 29' ' ' SER . 90.8 Cg_endo -91.7 106.27 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.317 2.678 . . . . 2.29 114.621 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.87 -53.19 0.16 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 118.738 -1.696 . . . . 2.14 110.527 158.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.616 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 58.2 m -119.94 174.32 2.97 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 107.844 -1.169 . . . . 1.75 107.844 158.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.97 -32.7 98.01 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 121.402 1.401 . . . . 1.09 111.629 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.616 ' OE2' ' HB2' ' A' ' 55' ' ' SER . 0.1 OUTLIER -73.92 -18.91 60.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.84 -0.618 . . . . 2.7 112.434 -176.259 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.66 -40.07 88.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.204 0.526 . . . . 2.3 110.014 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -70.67 -38.26 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.581 -0.736 . . . . 0.78 110.304 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 44.3 mt -68.52 -35.35 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 1.03 111.288 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.568 HH22 ' HB2' ' A' ' 98' ' ' GLU . 5.1 tpm_? -68.28 -38.76 82.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.006 -0.543 . . . . 3.35 110.261 -178.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -77.93 -26.4 48.94 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.396 -0.594 . . . . 1.22 109.396 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -55.54 -43.35 75.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.408 -0.814 . . . . 0.49 110.547 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -64.63 -41.83 95.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.211 -0.45 . . . . 2.12 110.81 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.58 -51.79 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 2.21 110.857 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.98 -37.27 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 0.66 110.995 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -68.99 -39.92 79.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.125 0.488 . . . . 0.63 111.029 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.63 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.565 -0.743 . . . . 2.46 110.6 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -94.95 21.19 7.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 2.41 110.961 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -99.25 117.92 63.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 0.78 110.775 178.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 12.5 Cg_exo -72.98 108.01 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.325 2.016 . . . . 1.34 111.856 176.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.89 -147.08 18.51 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.562 -0.745 . . . . 0.77 112.458 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.79 134.41 34.79 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.999 2.466 . . . . 0.9 112.031 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.28 138.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 1.5 111.134 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 23' ' ' LEU . 98.8 mttt -126.74 111.73 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.58 109.332 175.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 67' ' ' ALA . 59.7 t -109.45 126.79 66.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.004 0.431 . . . . 1.16 111.177 -177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 122' ' ' PHE . 67.2 tp -118.66 131.01 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.768 -0.651 . . . . 1.35 110.497 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.04 125.35 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.441 . . . . 1.01 109.984 175.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 109' ' ' VAL . 3.5 mm? -104.01 100.27 10.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.014 -0.539 . . . . 1.37 110.727 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.2 mt -84.34 99.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 1.4 109.334 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -76.44 133.12 39.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.161 -0.472 . . . . 2.07 111.806 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.05 -164.61 48.26 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 121.018 -0.611 . . . . 1.09 112.575 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 p -83.79 126.9 33.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.727 0.299 . . . . 2.22 110.714 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.27 123.87 28.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.898 -0.408 . . . . 1.13 109.898 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.19 150.51 84.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 2.07 110.402 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.42 -51.27 8.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.388 2.726 . . . . 1.3 113.713 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -75.83 -32.14 59.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.834 0.35 . . . . 2.43 110.913 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.83 -33.98 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.917 -0.583 . . . . 2.37 109.967 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -68.64 -33.58 74.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 2.81 110.115 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -69.82 -42.0 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.464 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 74.2 mmtt -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 2.41 110.216 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.52 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.551 -0.75 . . . . 0.78 110.505 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.99 -50.9 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 2.44 110.248 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -65.23 -41.63 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.881 -0.599 . . . . 2.85 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . . . -61.74 -49.27 77.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.62 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.64 111.685 -177.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -43.01 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.348 0.594 . . . . 2.62 109.991 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' HH22 ' A' ' 61' ' ' ARG . 7.4 mm-40 -77.94 -32.08 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 2.66 111.166 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.47 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -74.85 -29.54 61.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.58 111.739 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 44.7 mtm180 -64.23 -21.29 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 3.77 110.563 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -71.25 -13.77 62.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.84 -0.618 . . . . 3.24 110.381 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -119.72 22.91 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 2.65 111.016 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 69.44 31.39 3.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.764 -0.653 . . . . 2.0 112.244 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.47 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 58.8 t -96.31 133.08 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.399 . . . . 0.99 109.921 175.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -120.7 132.09 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.381 -0.372 . . . . 4.06 110.329 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.52 141.38 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.304 -0.407 . . . . 1.58 110.106 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.496 ' HD3' ' CD1' ' A' ' 118' ' ' TRP . 99.5 mtt180 -142.44 130.71 22.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.395 -0.366 . . . . 3.0 110.293 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.0 m -82.99 122.55 28.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 0.86 110.403 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -99.41 109.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.183 -0.462 . . . . 1.51 110.677 -174.55 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 p -84.61 -38.42 19.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.152 -0.476 . . . . 1.55 111.879 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -122.88 132.9 24.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.383 -0.371 . . . . 1.52 110.795 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.22 -35.99 82.44 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.452 2.768 . . . . 1.05 113.271 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 29.2 t70 -65.81 -38.46 89.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.421 0.629 . . . . 2.48 110.315 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 2.7 tp10 -73.9 -22.96 59.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.315 -0.857 . . . . 2.7 110.325 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -57.67 -39.62 77.5 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.151 0.501 . . . . 0.7 110.017 173.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 113' ' ' ASP . 21.8 ttpp -54.61 -46.65 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 2.33 110.492 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 117' ' ' ARG . 23.7 ttm-85 -65.08 -45.74 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 3.61 110.456 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.496 ' CD1' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -52.72 -45.71 67.06 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.865 -0.607 . . . . 3.39 111.681 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.91 -46.18 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.911 0.386 . . . . 0.81 110.492 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.49 -42.18 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 2.76 111.027 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.95 -42.38 90.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.406 . . . . 2.57 111.472 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 77' ' ' LEU . 36.0 t80 -75.78 -34.7 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.897 0.379 . . . . 3.02 111.334 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.9 t -78.04 -29.38 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.463 -0.335 . . . . 1.4 111.083 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 4.14 111.266 -175.448 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.873 0.368 . . . . 3.31 110.57 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.08 116.4 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.91 0.386 . . . . 1.76 110.018 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.502 HG11 HG21 ' A' ' 66' ' ' ILE . 48.3 t -120.22 138.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.034 -0.53 . . . . 0.46 110.833 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.47 124.22 54.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.269 -0.423 . . . . 0.52 110.619 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 66' ' ' ILE . 5.6 mp -113.09 138.43 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.051 -0.722 . . . . 1.33 109.051 171.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.27 128.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.928 -0.397 . . . . 1.36 109.928 -176.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.98 95.34 3.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.691 -0.232 . . . . 1.37 110.614 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.521 ' OG ' ' HB ' ' A' ' 81' ' ' THR . 49.1 m -171.21 158.8 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.482 ' HA ' HD11 ' A' ' 35' ' ' ILE . 23.8 t-20 -127.92 81.54 2.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.881 -0.728 . . . . 4.58 109.481 168.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 31.1 t70 -127.28 123.1 35.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.764 -1.107 . . . . 2.29 108.832 171.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.65 -27.41 69.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.721 0.296 . . . . 3.77 111.691 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' OD2' ' A' ' 31' ' ' ASP . 6.1 ttpm? -77.33 -53.99 7.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 3.23 110.527 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 43.7 tp -59.17 -53.55 57.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.39 111.971 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 30' ' ' ASN . 65.3 mt -58.22 -44.81 88.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.618 -0.265 . . . . 0.97 111.351 -174.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.6 mm-40 -66.68 -48.17 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 2.42 111.064 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.64 -41.11 89.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.864 0.364 . . . . 2.53 110.549 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.3 97.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.61 110.743 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 2.73 110.474 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.6 mmtp -56.28 -45.9 79.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.643 -0.503 . . . . 2.52 109.643 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.5 mmm -63.94 -43.05 97.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 2.61 111.359 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -60.31 -39.53 87.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.721 -0.218 . . . . 0.75 111.026 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -67.85 -36.04 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.574 0.226 . . . . 2.57 110.889 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.6 mttm -66.48 -40.68 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 2.98 110.918 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.02 9.45 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.76 112.147 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 55.93 41.74 29.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.966 -0.561 . . . . 2.22 112.182 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD11 ' OG ' ' A' ' 123' ' ' SER . 57.8 mt -98.24 152.41 19.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.526 . . . . 1.11 110.223 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.19 99.41 12.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.995 -0.743 . . . . 2.13 108.995 172.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 42' ' ' ALA . 1.4 tt -95.99 119.1 33.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.537 -0.542 . . . . 1.49 109.537 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 HD13 ' A' ' 66' ' ' ILE . 50.3 mt -111.48 112.21 39.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.728 -0.669 . . . . 1.31 110.101 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -89.05 98.41 11.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.64 -0.709 . . . . 1.2 110.804 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.5 82.51 51.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 1.95 110.668 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.2 102.74 0.31 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.245 1.964 . . . . 2.29 112.587 166.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.59 -51.49 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.002 -1.571 . . . . 2.14 111.117 162.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 38.5 m -118.64 156.73 51.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.263 -0.643 . . . . 1.75 109.263 166.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 60' ' ' ILE . 53.8 Cg_exo -56.07 -52.5 7.16 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.685 1.59 . . . . 1.09 111.061 169.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.58 -23.73 66.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.554 -0.748 . . . . 2.7 111.713 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 21.4 tt0 -59.59 -54.34 47.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.618 -0.264 . . . . 2.3 111.593 -174.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.748 -0.205 . . . . 0.78 110.944 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 56' ' ' PRO . 24.9 mm -61.56 -49.18 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.47 0.652 . . . . 1.03 110.164 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -66.94 -37.26 83.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.312 -0.858 . . . . 3.35 110.533 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.74 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 1.22 110.695 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.4 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.49 110.817 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -64.42 -41.44 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.763 -0.653 . . . . 2.12 110.721 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.22 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 2.21 110.233 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD12 ' A' ' 50' ' ' ILE . 67.2 mt -62.99 -35.34 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.66 110.941 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -66.28 -44.12 84.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.63 111.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.18 -30.99 71.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.973 -0.558 . . . . 2.46 110.563 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -95.55 10.22 37.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.441 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.72 42.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.78 110.834 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.09 107.0 1.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 121.91 1.74 . . . . 1.34 112.108 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.92 -128.93 12.44 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.664 -0.698 . . . . 0.77 112.975 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.51 129.4 17.8 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.727 2.285 . . . . 0.9 112.365 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 67' ' ' ALA . 9.6 p -136.31 143.83 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.479 . . . . 1.5 110.676 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -137.91 107.82 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.229 -0.656 . . . . 2.58 109.229 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 104' ' ' VAL . 13.9 t -107.97 140.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 1.16 111.452 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 105' ' ' ARG . 61.2 tp -128.2 133.12 48.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.732 -0.667 . . . . 1.35 109.852 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 60' ' ' ILE . 21.8 t -116.8 129.58 73.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.982 0.42 . . . . 1.01 110.329 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.0 mm? -108.69 119.82 40.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.685 -0.689 . . . . 1.37 110.525 -177.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' THR . 4.4 mp -113.41 99.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.592 -0.521 . . . . 1.4 109.592 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.521 ' HB ' ' OG ' ' A' ' 29' ' ' SER . 11.8 m -86.78 132.57 33.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.765 0.317 . . . . 2.07 110.719 -178.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.78 -163.34 12.33 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.872 -0.68 . . . . 1.09 111.965 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.3 m -110.84 105.04 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.84 0.352 . . . . 2.22 110.838 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.71 128.37 35.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.181 -0.463 . . . . 1.13 110.542 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.28 140.15 97.66 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 2.07 110.525 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -41.11 -49.35 4.65 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.762 2.974 . . . . 1.3 113.9 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 2.0 m-20 -56.2 -53.81 52.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.78 0.324 . . . . 2.43 111.114 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.6 -31.07 68.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 2.37 111.027 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.54 -25.2 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.155 0.503 . . . . 2.81 110.079 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.8 m -84.21 -35.75 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 1.33 110.11 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 75.5 mmtt -63.9 -46.83 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.489 . . . . 2.41 110.183 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.692 -0.685 . . . . 0.78 110.241 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.9 -51.12 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.094 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 2.2 tmtp? -61.02 -43.55 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 2.85 109.873 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.03 84.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.63 110.876 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.82 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.64 111.309 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.6 -31.86 72.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.976 0.417 . . . . 2.62 110.563 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -72.17 -35.28 68.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.944 -0.571 . . . . 2.66 110.174 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.88 -13.65 47.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.58 111.448 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.39 -38.89 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 3.77 111.634 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -74.11 -4.01 33.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 3.24 111.59 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -103.16 20.72 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.996 0.427 . . . . 2.65 110.081 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.08 34.86 16.17 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.315 -0.857 . . . . 2.0 110.499 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 76' ' ' VAL . 54.8 t -101.69 131.99 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.611 -0.722 . . . . 0.99 110.292 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' O ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmm180 -119.53 133.2 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.389 -0.369 . . . . 4.06 110.14 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' ILE . 13.5 m -123.16 134.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.174 -0.466 . . . . 1.58 110.048 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -151.01 147.61 27.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 3.0 111.834 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 94.5 m -82.5 135.79 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.86 110.466 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.92 129.42 57.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.888 -0.596 . . . . 1.51 110.043 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -85.48 -31.12 22.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 1.55 111.372 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -161.7 145.89 9.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.342 -0.614 . . . . 1.52 109.342 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -40.49 -40.1 3.08 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.435 2.757 . . . . 1.05 113.732 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.69 -41.56 43.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.62 -0.718 . . . . 2.48 111.411 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.65 -45.25 75.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.778 -0.646 . . . . 2.7 110.341 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.43 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.7 110.552 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.16 -38.38 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.598 -0.728 . . . . 2.33 109.824 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.26 -46.03 90.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.589 . . . . 3.61 110.852 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -66.02 -39.84 90.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.398 -0.365 . . . . 3.39 111.107 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 -41.82 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.991 0.424 . . . . 0.81 110.095 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.6 -48.19 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.76 111.038 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.15 -42.82 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 2.57 111.868 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.45 -29.88 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.571 0.224 . . . . 3.02 111.36 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 47' ' ' LEU . 14.5 m -81.39 -43.98 18.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.061 0.458 . . . . 1.4 109.867 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.529 0.17 0 CA-C-N 114.687 -1.142 . . . . 4.14 111.728 177.297 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' HB2' HG12 ' A' ' 74' ' ' VAL . 28.0 mmm180 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.919 0.39 . . . . 3.31 110.217 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.524 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.7 mm? -89.87 130.94 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.2 -0.455 . . . . 1.76 110.275 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.47 127.03 69.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.46 110.403 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 60.4 t -116.24 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.222 -0.445 . . . . 0.52 110.126 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' ' 50' ' ' ILE . 64.7 mt -119.13 109.53 15.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.341 0.591 . . . . 1.33 109.897 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -107.31 128.01 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.34 -0.846 . . . . 1.36 111.099 -171.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -109.45 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.18 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.422 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 5.6 t -174.23 140.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.857 -0.794 . . . . 3.23 108.857 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.05 83.25 1.96 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.878 -0.729 . . . . 4.58 109.687 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 3.5 m-20 -125.16 166.75 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.011 -0.995 . . . . 2.29 109.607 175.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -91.83 -69.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.581 -0.448 . . . . 3.77 110.812 174.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.92 -22.7 66.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.203 0.445 . . . . 3.23 112.203 -172.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -80.02 -33.49 39.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.752 -0.462 . . . . 1.39 109.752 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 31' ' ' ASP . 1.8 mp -87.17 -47.76 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.97 111.093 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.3 mt-10 -58.32 -51.01 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 2.42 111.437 -177.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -36.61 79.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.45 -0.341 . . . . 2.53 111.223 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.68 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.61 110.106 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.45 -48.32 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.423 -0.808 . . . . 2.73 110.838 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.2 mttp -60.43 -52.49 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 2.52 110.951 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.6 mmm -60.49 -36.17 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 2.61 111.278 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.42 59.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.75 111.913 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.03 -32.14 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.595 -0.442 . . . . 2.57 110.909 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -76.21 -19.42 58.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 2.98 110.625 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.59 10.66 39.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.76 110.771 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 61.01 43.95 10.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.581 -0.736 . . . . 2.22 111.324 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 23' ' ' LEU . 37.5 mt -109.89 155.79 21.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.11 109.967 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -99.61 99.23 10.06 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.344 -0.613 . . . . 2.13 109.344 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.2 tt -111.64 128.09 55.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.087 0.47 . . . . 1.49 110.773 -176.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.8 mt -123.18 133.21 69.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.781 . . . . 1.31 110.093 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.2 p -82.65 110.37 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.134 0.492 . . . . 1.2 110.208 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 53' ' ' PRO . 62.9 t -87.33 145.55 37.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 1.95 111.067 -175.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.572 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.0 Cg_endo -49.99 161.32 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.021 2.481 . . . . 2.29 111.564 168.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.64 12.46 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 115.554 0.982 . . . . 2.14 115.554 -167.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' GLU . 36.9 m -104.7 134.01 19.88 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 118.063 0.931 . . . . 1.75 110.399 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.46 ' HG3' ' HB3' ' A' ' 88' ' ' GLU . 71.5 Cg_endo -71.68 -36.96 5.77 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.038 2.492 . . . . 1.09 113.248 -173.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.07 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 2.7 110.977 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 8.7 mm-40 -61.01 -43.67 98.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 2.3 110.349 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.52 83.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.78 111.023 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.588 HG21 ' HB1' ' A' ' 95' ' ' ALA . 30.0 mm -65.48 -48.83 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.274 0.559 . . . . 1.03 110.575 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -76.9 -14.6 59.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 3.35 111.029 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -77.43 -42.44 36.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.439 -0.949 . . . . 1.22 108.439 171.641 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.49 110.5 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -57.5 -37.06 72.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.617 -0.719 . . . . 2.12 110.761 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -73.86 -33.72 64.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 2.21 110.626 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -85.52 -52.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.443 -0.344 . . . . 0.66 111.912 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.81 87.38 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.8 0.667 . . . . 0.63 112.8 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.21 -35.45 77.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.085 0.469 . . . . 2.46 110.764 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -85.82 2.42 45.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.37 -0.377 . . . . 2.41 111.399 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.83 118.44 66.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.493 -0.322 . . . . 0.78 110.765 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -82.56 108.67 1.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.199 1.932 . . . . 1.34 111.584 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.25 -174.68 19.89 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.77 111.91 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -72.43 118.89 5.81 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.787 2.325 . . . . 0.9 111.794 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 22' ' ' ARG . 3.7 m -144.53 144.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.166 0.507 . . . . 1.5 111.448 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -143.28 140.17 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 2.58 108.948 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 139.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.365 -0.38 . . . . 1.16 110.76 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.21 121.37 44.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.317 -0.623 . . . . 1.35 109.317 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 106' ' ' VAL . 86.1 t -103.7 122.88 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.011 0.434 . . . . 1.01 110.095 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.635 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.2 mm? -115.1 108.35 16.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.763 -0.653 . . . . 1.37 111.177 -174.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.4 121.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.019 -0.734 . . . . 1.4 109.019 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 29' ' ' SER . 8.6 m -106.88 128.5 54.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.321 -0.399 . . . . 2.07 110.711 -175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.0 -158.03 15.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.745 -0.741 . . . . 1.09 111.903 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -92.93 127.22 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.338 -0.245 . . . . 2.22 110.338 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.02 128.82 39.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 1.13 110.897 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.91 135.79 96.45 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 2.07 109.967 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.51 -50.31 4.73 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.444 2.763 . . . . 1.3 113.967 -175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.07 -44.65 72.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.857 0.361 . . . . 2.43 110.658 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HB3' ' HG3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -64.98 -36.52 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 2.37 110.856 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.22 -0.445 . . . . 2.81 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.6 m -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.808 -0.633 . . . . 1.33 110.502 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -64.11 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 2.41 111.281 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . . . -69.06 -46.49 67.71 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.154 -0.476 . . . . 0.78 110.198 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 20.0 pttp -73.07 -31.95 64.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.116 -0.493 . . . . 2.44 110.772 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -50.16 64.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 2.85 109.843 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.588 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.22 -31.89 72.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.63 110.451 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.64 111.402 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 41.6 mt-10 -69.89 -22.14 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 2.62 111.153 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.191 0.52 . . . . 2.66 109.837 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.65 62.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 0.58 112.468 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -16.02 60.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 3.77 111.03 -179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -60.94 -33.67 73.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.19 0.519 . . . . 3.24 110.397 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.33 20.38 11.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 2.65 110.191 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 63.46 38.91 9.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.31 -0.859 . . . . 2.0 111.283 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.81 114.11 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 0.99 110.034 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -107.36 131.34 54.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.163 -0.472 . . . . 4.06 110.21 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 78' ' ' VAL . 19.0 t -117.08 130.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.392 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.87 158.13 43.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.94 0.4 . . . . 3.0 111.199 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.2 m -101.54 128.91 47.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.613 -0.721 . . . . 0.86 110.624 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 m -114.59 141.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.997 0.427 . . . . 1.51 110.155 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -113.69 -22.95 9.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.125 -0.489 . . . . 1.55 111.595 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.0 p -126.79 146.82 58.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 1.52 111.178 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.62 -23.24 74.65 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.934 2.423 . . . . 1.05 111.569 173.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 6.0 m-20 -63.37 -47.01 83.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.845 -0.616 . . . . 2.48 109.845 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.22 -37.56 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.274 -0.875 . . . . 2.7 109.613 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.804 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -56.96 -53.23 60.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.291 -0.868 . . . . 0.7 111.95 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 23.1 pttp -65.53 -20.34 66.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.677 0.275 . . . . 2.33 111.445 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.35 -48.12 14.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.072 -0.251 . . . . 3.61 111.385 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.804 ' NE1' ' HA ' ' A' ' 115' ' ' ALA . 29.5 p-90 -66.53 -26.5 67.17 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.839 -0.744 . . . . 3.39 110.933 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 115' ' ' ALA . 69.5 mt -60.04 -55.58 23.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.707 0.289 . . . . 0.81 110.842 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.33 -35.45 79.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 2.76 110.706 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.06 -26.58 61.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.57 111.095 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -90.5 -18.9 24.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 3.02 110.878 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.425 ' HA ' HD21 ' A' ' 47' ' ' LEU . 34.7 t -69.97 -34.93 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 1.4 110.935 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.408 -0.36 . . . . 4.14 110.226 179.606 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 2.1 mmp_? . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.426 -0.583 . . . . 3.31 109.426 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.2 mt -89.27 99.5 12.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.516 . . . . 1.76 109.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.04 131.69 49.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 0.46 110.71 -176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.2 t -119.33 133.75 65.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.782 -0.644 . . . . 0.52 109.407 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -121.63 133.41 54.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.159 -0.312 . . . . 1.33 110.159 178.183 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -124.02 140.48 47.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.983 0.421 . . . . 1.36 110.471 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.04 135.14 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 1.37 110.263 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.5 m -59.91 139.63 57.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.316 0.579 . . . . 3.23 111.715 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.543 ' H ' HD11 ' A' ' 35' ' ' ILE . 60.5 t30 -172.07 -172.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.644 -1.243 . . . . 4.58 107.644 -174.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -41.75 133.93 2.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.101 0.477 . . . . 2.29 110.602 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -22.58 63.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 3.77 112.918 -170.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -67.54 -37.6 82.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.943 0.401 . . . . 3.23 110.28 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD22 ' A' ' 30' ' ' ASN . 6.9 tp -70.07 -45.83 66.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 1.39 110.36 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' H ' ' A' ' 30' ' ' ASN . 65.5 mt -61.32 -41.53 90.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.661 -0.7 . . . . 0.97 110.281 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.45 -40.45 89.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.535 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 13.5 tp10 -60.4 -47.46 85.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 2.53 110.214 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.99 94.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.494 . . . . 0.61 110.588 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 39' ' ' ARG . 43.8 ttm180 -58.73 -52.85 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 2.73 110.862 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 50.6 mtmt -48.33 -52.93 19.31 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.555 0.534 . . . . 2.52 111.688 177.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.28 -42.89 65.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.195 -0.457 . . . . 2.61 112.024 -173.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.45 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.694 0.283 . . . . 0.75 111.028 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -38.34 83.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.352 -0.385 . . . . 2.57 110.882 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.69 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 2.98 110.577 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.67 2.26 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.76 111.191 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 66.18 33.05 7.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.851 -0.613 . . . . 2.22 111.509 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.51 145.06 24.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.947 -0.57 . . . . 1.11 109.544 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.54 99.45 10.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.026 0.441 . . . . 2.13 110.028 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 59.7 tp -97.85 127.47 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.49 111.537 -175.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.97 129.84 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 1.31 109.771 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.3 p -88.05 128.14 35.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.461 . . . . 1.2 111.023 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 53' ' ' PRO . 19.4 t -114.76 146.68 36.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 1.95 110.606 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.562 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.8 Cg_endo -48.37 160.44 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.245 2.63 . . . . 2.29 112.312 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.23 -4.78 31.28 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.359 -0.837 . . . . 2.14 114.801 -169.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 m -90.18 118.74 69.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 117.478 0.639 . . . . 1.75 110.711 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 60' ' ' ILE . 77.9 Cg_exo -54.51 -26.85 47.19 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.526 2.817 . . . . 1.09 112.809 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.12 -48.54 64.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.456 -0.793 . . . . 2.7 111.089 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -81.09 -27.43 35.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.657 . . . . 2.3 111.375 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -58.4 -52.14 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.987 0.422 . . . . 0.78 111.187 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 56' ' ' PRO . 5.5 mm -70.43 -36.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 1.03 110.485 -176.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 -69.34 -30.58 68.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 3.35 110.437 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -72.69 -43.12 63.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.383 -0.599 . . . . 1.22 109.383 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.43 81.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.49 111.232 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.61 -37.98 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 2.12 110.689 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.35 -49.48 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 2.21 110.596 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.92 -42.45 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 120.909 -0.317 . . . . 0.66 111.147 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -66.64 -34.88 78.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.946 0.403 . . . . 0.63 111.389 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -71.21 -38.38 72.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 2.46 110.467 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -96.67 20.08 11.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.947 -0.569 . . . . 2.41 111.425 -175.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.38 120.92 55.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.274 -0.421 . . . . 0.78 111.009 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.24 107.96 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.184 1.922 . . . . 1.34 111.86 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.27 -171.3 13.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.994 -0.622 . . . . 0.77 111.801 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.76 119.56 6.6 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.487 2.125 . . . . 0.9 111.553 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.22 143.17 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.99 0.424 . . . . 1.5 111.278 -175.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -150.6 127.31 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.348 -0.612 . . . . 2.58 109.348 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 t -111.19 139.73 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.047 0.451 . . . . 1.16 111.661 -170.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -115.27 124.21 50.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.719 -0.673 . . . . 1.35 109.76 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.37 119.62 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 1.01 110.637 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.1 mm? -96.17 99.79 11.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.769 -0.65 . . . . 1.37 110.041 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 108' ' ' THR . 34.7 pt -90.62 138.06 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.541 -0.54 . . . . 1.4 109.541 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -125.77 154.47 42.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.839 0.352 . . . . 2.07 111.03 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.42 178.15 51.36 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.863 -0.608 . . . . 1.09 112.173 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 m -90.09 99.46 12.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.712 -0.477 . . . . 2.22 109.712 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.52 7.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.78 -0.645 . . . . 1.13 110.46 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -66.09 150.82 96.37 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 2.07 110.146 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.83 -45.27 6.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.762 2.974 . . . . 1.3 114.002 -174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.85 -50.75 72.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 2.43 111.329 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.38 -34.55 63.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.639 -0.255 . . . . 2.37 111.197 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.99 -48.65 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 2.81 110.755 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.0 m -64.99 -37.15 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.33 110.561 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -66.51 -38.35 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 2.41 110.144 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.56 73.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.78 110.1 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -65.38 -44.64 86.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 2.44 111.002 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -64.43 -42.5 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.854 0.359 . . . . 2.85 110.154 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.0 97.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.476 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.64 110.968 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.97 -41.69 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 2.62 110.011 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -73.59 -48.51 32.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.78 -0.646 . . . . 2.66 110.973 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 102' ' ' TRP . . . -72.0 -13.51 61.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 0.58 112.176 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.36 -29.48 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.91 0.386 . . . . 3.77 111.333 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 101' ' ' LYS . 2.2 tpmt? -63.85 -16.44 61.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.037 -0.529 . . . . 3.24 111.406 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.435 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 25.5 m-90 -103.4 11.02 37.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.674 0.273 . . . . 2.65 111.492 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 63.43 65.54 0.75 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.726 -0.67 . . . . 2.0 110.714 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.66 135.33 59.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.914 -0.585 . . . . 0.99 109.916 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -120.67 120.68 36.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 4.06 110.326 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 m -95.72 129.72 45.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.168 -0.469 . . . . 1.58 110.142 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -137.17 151.57 48.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.068 -0.345 . . . . 3.0 110.068 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 19.3 m -96.98 130.78 44.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.86 111.482 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.53 109.45 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.51 110.718 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.7 p -84.7 -40.18 17.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 1.55 110.534 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -126.38 160.83 55.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.725 -0.671 . . . . 1.52 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.5 -28.3 73.08 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.344 2.029 . . . . 1.05 111.724 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.25 -34.92 64.44 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.691 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.74 -48.1 41.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.576 -0.738 . . . . 2.7 110.121 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.0 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.7 110.491 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.8 -48.13 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 2.33 111.309 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 118' ' ' TRP . 12.4 ptm180 -72.39 -39.9 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 3.61 111.539 -175.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.495 ' N ' ' HG3' ' A' ' 117' ' ' ARG . 6.6 m95 -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.439 -0.504 . . . . 3.39 110.651 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.51 -32.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.063 -0.517 . . . . 0.81 110.515 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.95 -42.05 34.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.475 . . . . 2.76 110.883 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.31 -30.47 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.52 . . . . 2.57 111.727 -174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -84.57 -37.15 21.54 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.003 -0.279 . . . . 3.02 111.558 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 p -69.6 -38.4 77.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.178 -0.209 . . . . 1.4 110.72 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.474 0.654 . . . . 4.14 110.757 178.589 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.443 ' SD ' ' HE2' ' A' ' 75' ' ' LYS . 48.2 tpp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.044 0.45 . . . . 3.09 110.208 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 2.6 tpm_? -100.05 130.32 46.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.734 -0.469 . . . . 3.31 109.734 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 47' ' ' LEU . 6.1 mp -107.62 138.06 44.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.0 -0.37 . . . . 1.76 110.0 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.3 136.64 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.649 -0.705 . . . . 0.46 110.352 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.6 t -124.18 117.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.613 -0.514 . . . . 0.52 109.613 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 ' HB ' ' A' ' 50' ' ' ILE . 37.4 mt -112.13 116.13 29.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.177 -0.465 . . . . 1.33 110.008 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.1 tt -105.88 126.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.03 -0.532 . . . . 1.36 111.028 -173.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 55.7 t -102.35 96.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.922 -0.581 . . . . 1.37 110.286 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -174.13 173.83 3.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 3.23 110.314 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -136.06 83.16 1.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.148 -1.056 . . . . 4.58 108.148 167.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 24.6 t70 -126.43 168.65 13.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 2.29 110.348 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.5 mppt? -91.57 -69.38 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.772 -0.371 . . . . 3.77 110.446 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.14 -44.46 94.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.731 -0.668 . . . . 3.23 112.326 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 37.2 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 1.39 110.726 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.74 -34.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 0.97 110.554 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 43.7 mt-10 -58.77 -62.61 1.74 Allowed 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.119 -0.326 . . . . 2.42 110.119 173.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.28 -35.55 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 2.53 111.52 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -49.66 63.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.659 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 74.1 ttt180 -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 2.73 111.19 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.19 -36.12 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.03 0.443 . . . . 2.52 110.621 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.475 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 92.8 mmm -67.19 -46.74 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.902 -0.59 . . . . 2.61 110.181 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.75 111.842 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 78.1 mm-40 -58.99 -44.85 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 2.57 111.149 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.53 -10.94 59.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.3 -0.409 . . . . 2.98 111.822 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -119.06 22.57 11.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.704 -0.225 . . . . 0.76 110.935 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 38.72 48.1 1.27 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.041 1.336 . . . . 2.22 113.207 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' ' 23' ' ' LEU . 67.6 mt -101.57 144.99 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.56 -0.746 . . . . 1.11 109.603 177.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.9 98.44 10.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.671 -0.492 . . . . 2.13 109.671 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.4 tt -110.13 124.71 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.043 0.449 . . . . 1.49 110.487 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' HD23 ' A' ' 26' ' ' LEU . 65.9 mt -120.61 134.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.49 -0.777 . . . . 1.31 110.258 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -81.5 121.98 26.97 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.889 -0.596 . . . . 1.2 111.345 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 53' ' ' PRO . 70.9 t -109.29 142.07 24.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.969 -0.56 . . . . 1.95 110.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.601 ' O ' HG12 ' A' ' 52' ' ' VAL . 10.6 Cg_endo -54.64 161.03 6.37 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.765 2.31 . . . . 2.29 111.534 169.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.39 13.58 0.17 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.53 0.972 . . . . 2.14 115.53 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 p -100.83 129.55 27.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.916 0.858 . . . . 1.75 110.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.46 -34.56 12.03 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.356 2.704 . . . . 1.09 113.921 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -65.57 -38.77 90.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 2.7 110.501 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.27 -45.75 76.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.605 -0.725 . . . . 2.3 110.706 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -64.27 -50.42 68.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.725 -0.67 . . . . 0.78 111.755 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' HB1' ' A' ' 95' ' ' ALA . 45.0 mm -65.5 -40.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 1.03 111.174 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -66.1 -31.49 72.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.049 -0.26 . . . . 3.35 110.618 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.68 -37.68 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.804 -0.443 . . . . 1.22 109.804 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.19 86.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.49 110.399 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.87 -42.04 88.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.777 -0.647 . . . . 2.12 110.474 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 56.6 mm-40 -66.89 -50.76 61.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.378 . . . . 2.21 110.941 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 26' ' ' LEU . 66.9 mt -58.08 -44.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.693 -0.231 . . . . 0.66 111.203 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.82 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.63 110.934 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -58.03 -53.04 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 2.46 111.145 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.9 mttm -85.91 12.84 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.649 -0.705 . . . . 2.41 111.223 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 126.07 56.59 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.267 -0.424 . . . . 0.78 111.069 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.32 107.98 2.57 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.971 1.781 . . . . 1.34 111.038 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.64 -166.04 24.99 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.73 -0.748 . . . . 0.77 112.299 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -79.61 136.17 12.09 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.135 2.557 . . . . 0.9 112.461 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 22' ' ' ARG . 12.8 m -130.49 163.17 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 1.5 110.789 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 65.1 mttm -129.37 118.54 22.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.975 -0.75 . . . . 2.58 108.975 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.554 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.3 t -112.11 128.45 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.153 0.501 . . . . 1.16 111.326 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.78 127.12 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.648 -0.706 . . . . 1.35 109.862 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 60' ' ' ILE . 58.0 t -112.43 129.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.02 -0.363 . . . . 1.01 110.02 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -117.49 110.69 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.73 0.3 . . . . 1.37 111.132 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 66.4 mt -93.57 127.08 45.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.653 -0.499 . . . . 1.4 109.653 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 20.5 m -97.7 132.81 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.086 0.402 . . . . 2.07 112.086 -174.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.6 -151.04 26.12 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.73 -0.668 . . . . 1.09 113.054 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 t -96.7 138.36 34.38 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.017 -0.364 . . . . 2.22 110.017 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.66 130.59 46.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.215 -0.448 . . . . 1.13 110.367 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.48 158.19 74.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.942 -0.392 . . . . 2.07 109.942 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.7 -48.45 12.18 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.935 2.423 . . . . 1.3 112.02 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.72 -48.92 78.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 2.43 110.987 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.99 -42.32 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 2.37 110.459 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.12 -38.28 87.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.65 -0.705 . . . . 2.81 110.472 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -63.79 -42.73 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.33 110.091 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.04 -46.28 88.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 2.41 110.636 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.78 110.659 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -67.25 -53.76 27.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 2.44 110.637 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.95 -39.51 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 2.85 110.801 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -63.8 -44.54 92.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.31 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.51 78.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.787 0.327 . . . . 0.64 110.964 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.53 -44.94 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.341 -0.614 . . . . 2.62 109.341 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -70.85 -47.57 58.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.664 . . . . 2.66 110.481 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.724 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.84 -23.75 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.58 112.489 -175.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -55.74 -35.65 66.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 3.77 110.656 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -80.05 -11.4 59.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 3.24 110.974 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -100.95 11.73 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.005 -0.543 . . . . 2.65 109.941 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 63.14 42.84 6.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.21 -0.905 . . . . 2.0 110.299 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.724 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 22.0 t -117.97 136.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.99 109.92 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -125.29 136.36 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 4.06 110.271 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.53 128.88 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.073 -0.512 . . . . 1.58 110.694 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -128.31 151.3 49.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.737 0.304 . . . . 3.0 110.409 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -97.36 136.78 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.672 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.2 m -126.09 148.33 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.481 . . . . 1.51 110.373 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 p -120.57 -41.09 2.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.164 0.507 . . . . 1.55 110.753 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 49.5 m -120.53 158.11 52.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.654 . . . . 1.52 109.77 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.49 -19.89 66.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.631 2.221 . . . . 1.05 112.318 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.79 -43.76 87.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 2.48 110.46 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 8.2 mp0 -66.29 -47.17 74.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 2.7 110.536 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.23 -50.64 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.7 110.74 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.475 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 40.2 ttmt -56.76 -40.46 75.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.615 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.502 ' HD2' ' CZ3' ' A' ' 118' ' ' TRP . 38.5 ttm180 -65.06 -49.81 68.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 3.61 111.271 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.502 ' CZ3' ' HD2' ' A' ' 117' ' ' ARG . 2.2 m95 -63.72 -34.89 78.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.436 -0.347 . . . . 3.39 110.527 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.18 -35.22 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.196 -0.456 . . . . 0.81 110.35 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HG2' ' OE2' ' A' ' 125' ' ' GLU . 65.1 tttm -62.88 -52.74 61.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 2.76 110.777 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.37 -35.28 80.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.108 0.48 . . . . 2.57 110.855 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -75.15 -25.06 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 3.02 111.022 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.2 t -59.53 -71.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.827 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -148.34 13.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 4.14 111.128 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.418 ' OE2' ' HG2' ' A' ' 120' ' ' LYS . 43.8 mt-10 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.092 -0.48 . . . . 6.29 110.408 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.392 -0.225 . . . . 3.09 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -100.77 108.67 20.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.032 0.444 . . . . 3.31 110.057 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' ' 47' ' ' LEU . 4.5 tt -104.86 128.04 52.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.85 -0.796 . . . . 1.76 108.85 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 66' ' ' ILE . 47.2 t -106.51 127.25 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.757 -0.656 . . . . 0.46 110.172 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.9 119.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.827 0.346 . . . . 0.52 110.874 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -105.75 109.79 21.87 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.18 -0.674 . . . . 1.33 109.18 173.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 138.23 38.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.689 -0.485 . . . . 1.36 109.689 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -87.8 129.66 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.216 -0.447 . . . . 1.37 109.94 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -58.76 150.92 22.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.869 -0.605 . . . . 3.23 112.278 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.675 ' ND2' HG21 ' A' ' 81' ' ' THR . 4.7 p30 -179.21 -170.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 4.58 107.968 -171.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -43.88 133.5 4.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.46 0.648 . . . . 2.29 111.186 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -53.25 -27.25 21.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.821 -1.082 . . . . 3.77 113.594 -172.769 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -61.73 -46.04 91.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.96 0.41 . . . . 3.23 111.129 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 30' ' ' ASN . 3.2 tm? -68.33 -42.24 79.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.39 110.309 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 30' ' ' ASN . 52.6 mt -62.11 -48.96 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.97 110.891 -178.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.09 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 2.42 111.436 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.78 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 2.53 110.304 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.35 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.61 110.361 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -60.93 -41.45 96.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 2.73 110.764 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.06 -47.14 87.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 2.52 110.91 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 92.7 mmm -63.65 -37.46 87.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 2.61 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.48 55.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.75 110.854 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.37 -19.05 61.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.323 . . . . 2.57 111.251 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -66.58 -41.38 88.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 2.98 110.363 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.82 43.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 0.76 111.057 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 61.64 49.16 5.17 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.451 -0.795 . . . . 2.22 111.466 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 23' ' ' LEU . 17.0 mt -105.58 159.06 16.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 1.11 109.871 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.84 113.05 24.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.318 -0.253 . . . . 2.13 110.318 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -115.72 140.74 48.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 1.49 111.088 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HD13 ' A' ' 26' ' ' LEU . 84.9 mt -130.8 131.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.556 -0.747 . . . . 1.31 109.819 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.9 m -93.02 109.71 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.425 . . . . 1.2 110.013 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 53' ' ' PRO . 6.2 m -89.0 168.98 14.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.526 . . . . 1.95 111.288 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.0 Cg_endo -54.64 159.47 8.73 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.613 2.208 . . . . 2.29 111.622 167.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.65 10.26 4.11 Favored Glycine 0 C--N 1.318 -0.428 0 CA-C-N 115.811 -0.631 . . . . 2.14 114.282 -173.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -100.04 137.31 20.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 117.412 0.606 . . . . 1.75 110.72 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.74 -27.38 21.88 Favored 'Trans proline' 0 N--CA 1.466 -0.106 0 C-N-CA 123.24 2.626 . . . . 1.09 112.379 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 11.2 tp10 -59.78 -56.61 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 2.7 110.14 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.21 -29.29 70.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.437 -0.801 . . . . 2.3 111.502 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -63.0 -48.52 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.78 111.006 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.8 -35.06 35.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.719 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 80.2 mtp180 -62.2 -39.06 91.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 3.35 110.506 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -52.26 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.22 109.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.76 -43.81 94.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.238 -0.892 . . . . 0.49 111.562 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -61.39 -37.2 82.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.544 -0.753 . . . . 2.12 110.681 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.04 -51.62 37.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 2.21 110.597 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 24' ' ' VAL . 64.4 mt -61.44 -42.2 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.66 111.434 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.15 94.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.972 0.415 . . . . 0.63 111.191 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -67.65 -45.33 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 2.46 110.625 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 18.93 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.693 -0.685 . . . . 2.41 111.56 -174.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.6 116.73 66.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.63 -0.259 . . . . 0.78 110.582 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.35 107.67 1.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.203 1.935 . . . . 1.34 111.738 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.32 -149.26 18.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.012 -0.614 . . . . 0.77 112.379 176.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.27 142.84 21.75 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.647 2.231 . . . . 0.9 111.957 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -153.72 144.4 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 1.5 110.55 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -128.57 123.96 34.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.502 -0.555 . . . . 2.58 109.502 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 63' ' ' ALA . 18.7 t -115.7 133.89 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.846 0.355 . . . . 1.16 110.98 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 105' ' ' ARG . 48.6 tp -119.43 130.35 55.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.901 -0.59 . . . . 1.35 109.72 177.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.92 127.53 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.681 0.277 . . . . 1.01 110.374 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.8 mm? -112.49 100.02 8.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 1.37 110.923 -176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -80.8 124.63 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.322 -0.622 . . . . 1.4 109.322 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.675 HG21 ' ND2' ' A' ' 30' ' ' ASN . 17.8 p -87.51 143.72 27.07 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 2.07 112.401 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 -136.66 15.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.571 -0.74 . . . . 1.09 111.988 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 141.49 45.42 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.56 -0.533 . . . . 2.22 109.56 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.66 109.76 21.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.913 0.387 . . . . 1.13 110.528 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 28.1 m-20 -72.18 161.65 77.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.78 -0.646 . . . . 2.07 110.258 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 85' ' ' ASP . 68.5 Cg_exo -42.31 -50.71 5.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.494 2.796 . . . . 1.3 114.348 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.99 -48.03 59.81 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.866 0.365 . . . . 2.43 110.836 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' OE1' ' HB2' ' A' ' 85' ' ' ASP . 5.7 mp0 -56.79 -43.4 80.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.784 -0.644 . . . . 2.37 110.667 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -65.88 -40.34 91.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.522 -0.763 . . . . 2.81 110.656 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.4 m -69.6 -42.49 74.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 1.33 110.976 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.493 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 97.5 mttt -62.29 -40.6 96.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 2.41 110.719 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.84 76.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.924 -0.58 . . . . 0.78 109.936 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 25.9 ttpp -61.43 -53.79 51.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 2.44 111.361 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 21.3 pttp -57.87 -36.3 72.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.907 0.384 . . . . 2.85 111.227 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.58 32.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.228 -0.442 . . . . 0.63 110.75 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.64 110.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 45.9 mt-10 -66.28 -29.89 70.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.225 -0.443 . . . . 2.62 110.391 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -76.56 -40.26 50.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 2.66 109.768 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.49 -14.18 60.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.725 -0.67 . . . . 0.58 111.527 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.21 -23.7 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 3.77 110.736 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.04 -16.46 61.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.9 -0.591 . . . . 3.24 111.261 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -119.25 12.12 12.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.093 0.473 . . . . 2.65 110.766 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 60.29 72.67 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.924 -1.035 . . . . 2.0 111.284 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.27 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.99 109.625 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.7 tpm_? -86.95 99.96 12.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.893 -0.594 . . . . 4.06 110.858 -173.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -94.68 135.69 28.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 1.58 110.186 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -150.06 163.8 37.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 3.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 m -101.89 132.09 47.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.201 -0.454 . . . . 0.86 111.276 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.1 t -113.89 113.29 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.511 -0.768 . . . . 1.51 110.289 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -101.57 -26.03 13.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.398 0.618 . . . . 1.55 109.829 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 13.3 p -128.33 137.66 31.35 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.584 -0.735 . . . . 1.52 110.07 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 53.7 Cg_exo -52.73 -27.83 35.46 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.635 2.89 . . . . 1.05 113.737 -177.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.15 -35.59 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 2.48 110.819 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.44 -57.06 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 2.7 110.583 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -53.25 -45.63 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.455 -0.338 . . . . 0.7 110.992 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -64.13 -36.98 85.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 2.33 111.442 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -80.91 -39.15 26.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.552 -0.459 . . . . 3.61 111.134 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -70.89 -37.6 73.0 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 111.601 0.223 . . . . 3.39 111.601 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.07 -39.63 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.094 0.473 . . . . 0.81 109.792 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -69.53 -41.14 76.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.841 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.94 -41.09 83.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.729 0.299 . . . . 2.57 111.17 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -73.59 -21.69 60.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.167 0.508 . . . . 3.02 110.324 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -87.28 -47.51 8.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 1.4 111.025 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 68.27 -75.0 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 4.14 109.994 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.243 0.744 0 CA-C-O 118.609 -0.71 . . . . 6.29 109.588 176.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.947 -0.39 . . . . 3.09 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.466 ' NH2' ' HB2' ' A' ' 48' ' ' GLU . 26.5 tpt180 -112.97 125.17 54.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.907 0.384 . . . . 3.31 110.845 -176.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.59 124.0 50.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 1.76 109.458 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 48.5 t -121.05 147.22 25.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.46 110.664 -174.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 40.5 t -125.73 126.45 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.98 -0.378 . . . . 0.52 109.98 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -116.39 123.21 47.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.85 -0.426 . . . . 1.33 109.85 175.273 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 tt -120.54 147.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.156 -0.474 . . . . 1.36 110.426 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' ' 52' ' ' VAL . 62.2 t -88.25 134.04 29.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.251 -0.648 . . . . 1.37 109.251 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.6 m -60.11 114.9 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.481 . . . . 3.23 111.755 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 34' ' ' LEU . 6.1 t-20 -134.52 -171.35 2.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 4.58 108.565 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -46.64 145.09 2.0 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.571 0.701 . . . . 2.29 112.495 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -36.84 -51.97 0.91 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 113.965 -1.47 . . . . 3.77 114.667 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.93 -34.4 78.32 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.249 0.463 . . . . 3.23 112.249 -170.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 30' ' ' ASN . 63.0 tp -64.58 -46.81 81.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.833 0.349 . . . . 1.39 110.427 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -32.2 53.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.97 110.39 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 22.9 mm-40 -70.62 -63.44 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.496 . . . . 2.42 110.908 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.1 -41.53 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.001 0.371 . . . . 2.53 112.001 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.61 110.992 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 49' ' ' LEU . 36.0 ttt180 -77.44 -32.01 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.409 -0.359 . . . . 2.73 110.693 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 28.6 mtpp -65.2 -34.02 77.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.847 0.356 . . . . 2.52 110.405 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.9 mmm -70.22 -38.77 75.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 2.61 110.107 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 47' ' ' LEU . . . -63.61 -44.23 94.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.661 -0.7 . . . . 0.75 110.61 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.27 -27.22 68.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.576 . . . . 2.57 110.556 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.11 -59.87 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 2.98 110.901 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.71 20.2 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.308 0.484 . . . . 0.76 112.308 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 63.37 67.77 0.64 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.391 0.615 . . . . 2.22 111.372 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 42' ' ' ALA . 2.5 mm? -119.05 142.27 48.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.004 -0.544 . . . . 1.11 109.788 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 36.3 tt0 -88.63 103.49 15.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.125 -0.694 . . . . 2.13 109.125 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.629 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.3 tt -105.95 135.68 46.97 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.896 -0.322 . . . . 1.49 111.12 -174.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.36 134.14 67.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.647 -0.706 . . . . 1.31 110.191 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -92.43 128.14 38.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.592 -0.276 . . . . 1.2 110.786 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 53' ' ' PRO . 4.5 m -112.33 167.52 9.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.757 -0.201 . . . . 1.95 111.414 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.9 Cg_endo -55.39 160.52 8.69 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.002 2.468 . . . . 2.29 112.224 168.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.99 32.94 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.101 -0.954 . . . . 2.14 114.821 -172.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 m -91.6 132.23 33.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.641 0.721 . . . . 1.75 111.087 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' O ' HG12 ' A' ' 60' ' ' ILE . 63.2 Cg_endo -69.62 -24.63 30.12 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 123.06 2.507 . . . . 1.09 113.11 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.42 -37.54 86.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 2.7 110.643 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.02 -39.32 75.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 2.3 109.928 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -59.45 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.523 -0.762 . . . . 0.78 111.191 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 56' ' ' PRO . 31.7 mm -65.83 -48.49 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.29 -0.414 . . . . 1.03 110.912 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -61.88 -40.71 96.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 3.35 111.197 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.13 -49.92 73.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 1.22 109.485 177.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -64.72 -32.79 74.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.386 . . . . 0.49 111.624 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.18 -40.21 95.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.156 0.503 . . . . 2.12 109.736 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 49.8 mt-10 -71.33 -33.57 69.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.796 -0.638 . . . . 2.21 110.866 176.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.516 ' CG1' ' HA ' ' A' ' 63' ' ' ALA . 32.9 mm -49.59 -58.38 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 CA-C-O 120.872 0.368 . . . . 0.66 110.499 174.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 102' ' ' TRP . . . -66.82 -37.66 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.62 -0.718 . . . . 0.63 111.18 -178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.64 -33.85 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 2.46 111.234 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 65' ' ' GLU . 24.7 mttp -100.83 6.17 43.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 2.41 111.173 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.44 131.35 44.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.666 -0.243 . . . . 0.78 111.052 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -83.04 108.39 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.432 2.088 . . . . 1.34 112.336 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.08 -163.63 17.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.781 -0.723 . . . . 0.77 112.633 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.0 120.65 7.93 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.965 2.443 . . . . 0.9 111.673 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.52 142.86 37.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.255 -0.429 . . . . 1.5 111.385 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.42 136.9 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.706 -0.679 . . . . 2.58 109.476 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 5.8 p -128.82 133.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.229 0.538 . . . . 1.16 111.132 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.3 tp -103.83 123.85 47.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.594 -0.73 . . . . 1.35 110.33 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -103.76 120.4 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 1.01 110.238 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.9 mm? -99.87 103.53 15.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.207 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -83.97 117.75 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 1.4 109.64 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 30' ' ' ASN . 72.1 p -83.71 119.17 24.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 2.07 111.674 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.17 -177.24 47.5 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.889 -0.672 . . . . 1.09 112.225 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -85.89 130.12 34.64 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.069 -0.345 . . . . 2.22 110.069 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.91 115.66 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 1.13 110.804 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.52 160.59 75.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 2.07 110.571 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -37.56 -50.84 1.78 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.11 3.207 . . . . 1.3 115.288 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.48 -47.7 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.944 -0.302 . . . . 2.43 110.798 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.67 -42.46 92.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.313 0.578 . . . . 2.37 109.835 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.8 -39.44 91.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.086 -0.961 . . . . 2.81 109.998 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.7 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 1.33 110.821 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.35 -41.69 80.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 2.41 110.471 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.51 -45.08 61.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.78 111.454 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -62.18 -34.31 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.646 0.26 . . . . 2.44 111.577 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 24.0 tptm -79.69 -51.38 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.525 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.63 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.63 111.292 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -66.17 -29.49 69.78 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.64 110.955 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.02 -45.09 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.976 0.417 . . . . 2.62 109.993 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 22.6 mm-40 -65.94 -49.14 69.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 2.66 110.374 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -71.79 -16.9 62.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.58 111.99 -176.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 39.8 ttm180 -59.08 -27.17 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 3.77 111.323 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -62.18 -29.38 70.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.205 0.526 . . . . 3.24 110.392 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 76.3 m95 -90.28 18.82 5.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 2.65 110.551 -177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 66.62 29.68 8.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.816 -0.629 . . . . 2.0 111.28 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.426 HG21 ' HB1' ' A' ' 99' ' ' ALA . 98.3 t -82.77 111.97 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.99 109.683 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -104.67 130.97 52.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 4.06 109.946 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.3 m -109.82 126.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 1.58 111.234 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 4.1 mmp_? -129.48 142.45 50.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.199 -0.455 . . . . 3.0 110.128 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.2 m -90.47 129.44 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.86 110.426 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 115' ' ' ALA . 74.8 t -125.61 126.73 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.16 -0.473 . . . . 1.51 110.737 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.1 p -113.44 -26.94 8.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.975 0.417 . . . . 1.55 110.709 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.4 p -130.3 146.51 61.93 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-O 121.093 0.473 . . . . 1.52 110.446 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 13.0 Cg_endo -56.43 -26.62 63.96 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.895 3.064 . . . . 1.05 114.037 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 22.7 t70 -66.08 -34.25 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 2.48 110.482 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.18 -47.77 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 2.7 110.491 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -55.97 -51.84 66.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.7 111.17 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -68.97 -21.73 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 2.33 110.94 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.4 tmm_? -74.93 -49.12 21.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.536 -0.542 . . . . 3.61 109.536 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -59.72 -54.43 46.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.166 -0.47 . . . . 3.39 110.718 177.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.7 mt -55.53 -39.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 0.81 111.228 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -59.57 -41.97 91.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.108 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -38.17 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.513 -0.312 . . . . 2.57 111.577 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.45 -21.5 63.72 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.084 -0.246 . . . . 3.02 111.373 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.3 m -81.72 -36.05 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.899 -0.408 . . . . 1.4 109.899 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.33 -42.17 88.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.805 -0.634 . . . . 4.14 109.837 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.184 -0.916 . . . . 6.29 109.32 178.483 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.584 ' SD ' ' HE2' ' A' ' 75' ' ' LYS . 56.8 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.916 -0.401 . . . . 3.09 109.916 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -88.94 135.87 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.877 0.37 . . . . 3.31 110.905 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' CB ' HD22 ' A' ' 47' ' ' LEU . 2.8 mm? -107.17 99.83 9.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.748 -0.66 . . . . 1.76 109.293 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.5 t -98.93 116.25 41.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.223 -0.444 . . . . 0.46 111.004 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 13.9 t -109.91 115.33 49.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.559 -0.534 . . . . 0.52 109.559 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 32.5 mt -113.56 125.59 54.35 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.774 -0.454 . . . . 1.33 109.774 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.85 130.5 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.835 0.35 . . . . 1.36 111.208 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 38.9 t -108.82 97.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 1.37 109.742 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -172.15 149.2 2.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.848 -0.615 . . . . 3.23 109.665 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -115.73 77.49 1.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.295 1.045 . . . . 4.58 109.126 166.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.9 t70 -128.17 110.35 12.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.233 -1.349 . . . . 2.29 108.176 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 pttt -56.56 -32.11 64.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.885 0.698 . . . . 3.77 112.885 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -79.71 -50.43 10.62 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.71 -0.396 . . . . 3.23 111.026 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 36.7 tp -55.56 -43.64 76.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 1.39 110.831 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.35 -52.27 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.97 111.335 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 8.9 pt-20 -73.75 -40.02 63.81 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.26 -0.576 . . . . 2.42 111.65 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 41' ' ' MET . 70.0 mm-40 -58.89 -44.92 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 2.53 110.934 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 0.61 110.867 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.69 -46.35 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.296 -0.562 . . . . 2.73 110.285 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 89.9 mttt -48.82 -50.66 33.39 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.345 0.403 . . . . 2.52 111.239 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 15.8 ptm -71.24 -41.34 70.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 2.61 111.783 -177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.16 56.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.75 111.412 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.41 -26.2 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 2.57 110.322 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -69.65 -34.1 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.788 -0.449 . . . . 2.98 109.788 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.35 9.56 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.76 110.809 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.81 32.83 5.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.554 -0.748 . . . . 2.22 111.26 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 123' ' ' SER . 11.6 mt -95.93 166.09 11.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.852 -0.796 . . . . 1.11 108.852 173.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.59 103.46 12.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.639 0.733 . . . . 2.13 110.031 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.8 tt -105.57 121.69 44.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.646 -0.706 . . . . 1.49 109.906 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.457 ' HB ' HD23 ' A' ' 26' ' ' LEU . 66.6 mt -117.5 132.34 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.606 -0.724 . . . . 1.31 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -84.43 123.97 30.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.069 -0.514 . . . . 1.2 110.557 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.6 t -99.71 144.97 29.32 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.88 -0.6 . . . . 1.95 110.134 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.583 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -49.75 160.59 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.61 2.206 . . . . 2.29 111.124 166.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.13 11.47 1.41 Allowed Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.796 -0.638 . . . . 2.14 114.537 -169.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -96.18 114.7 64.75 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 117.475 0.638 . . . . 1.75 109.547 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' A' ' 88' ' ' GLU . 53.6 Cg_exo -61.17 -30.33 88.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.096 2.531 . . . . 1.09 112.678 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 91' ' ' LYS . 9.9 pt-20 -65.3 -37.43 87.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 2.7 110.992 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.96 -36.97 78.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 2.3 110.05 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -60.76 -48.21 82.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.694 . . . . 0.78 112.216 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 56' ' ' PRO . 16.4 mm -64.71 -38.32 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.21 0.529 . . . . 1.03 110.132 -177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 98.5 mtt180 -68.85 -32.67 72.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.576 -0.738 . . . . 3.35 110.315 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -42.02 87.78 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.136 -0.69 . . . . 1.22 109.136 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.53 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 0.49 110.545 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.38 -39.4 79.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 2.12 110.658 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 10.7 mm-40 -63.25 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 2.21 110.856 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.62 -47.75 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.66 111.767 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -71.97 -38.63 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.602 0.593 . . . . 0.63 112.602 -172.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.7 -33.6 66.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.737 0.303 . . . . 2.46 110.992 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 67.4 mmtt -84.72 -13.37 51.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.806 -0.358 . . . . 2.41 110.743 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.427 ' CB ' HG21 ' A' ' 74' ' ' VAL . . . -80.71 121.53 81.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.358 -0.383 . . . . 0.78 111.171 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 108.02 2.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.17 1.914 . . . . 1.34 111.86 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.07 -176.21 16.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.774 -0.727 . . . . 0.77 112.16 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 21' ' ' MET . 12.4 Cg_exo -70.15 119.41 6.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.915 2.41 . . . . 0.9 111.848 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 70' ' ' ALA . 66.0 t -131.87 146.88 32.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.914 -0.585 . . . . 1.5 109.793 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -134.62 139.74 45.55 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.625 . . . . 2.58 109.314 174.415 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 28.2 t -122.05 137.03 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.38 -0.373 . . . . 1.16 110.624 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.2 109.32 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.531 -0.914 . . . . 1.35 108.531 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.1 p -103.76 123.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 121.587 0.708 . . . . 1.01 110.321 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 107' ' ' ARG . 79.2 mt -107.2 108.41 19.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.202 -0.908 . . . . 1.37 110.566 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 28.5 pt -91.68 123.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.928 -0.397 . . . . 1.4 109.928 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 9.4 m -99.42 131.88 45.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.38 -0.373 . . . . 2.07 111.134 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.61 -164.37 13.99 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.892 -0.671 . . . . 1.09 112.492 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -99.29 116.62 31.89 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.004 -0.369 . . . . 2.22 110.004 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.14 122.75 24.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.145 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -73.21 157.6 88.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.584 -0.525 . . . . 2.07 109.584 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -36.81 -51.01 1.4 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.135 3.223 . . . . 1.3 114.298 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 23.1 t70 -61.41 -57.21 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.65 0.262 . . . . 2.43 110.849 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 46.4 mt-10 -57.45 -40.28 78.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 2.37 110.983 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.25 -43.96 98.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 2.81 110.59 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -71.4 -40.69 70.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 1.33 110.66 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 57' ' ' GLU . 32.5 mmtp -56.44 -53.59 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.031 -0.531 . . . . 2.41 110.85 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -19.45 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.958 -0.565 . . . . 0.78 111.14 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -77.45 -55.92 4.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.093 -0.503 . . . . 2.44 110.758 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.9 -39.23 76.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 2.85 110.444 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.52 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.361 . . . . 0.63 110.968 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.32 83.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.412 . . . . 0.64 111.004 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 16.5 mm-40 -67.16 -26.79 66.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 2.62 110.536 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.61 -43.29 10.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 2.66 110.498 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.25 61.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.58 112.163 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 16.3 ptt180 -64.72 -10.78 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.394 -0.192 . . . . 3.77 111.406 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.7 -30.39 67.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.981 0.419 . . . . 3.24 110.7 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.526 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.1 m-90 -111.48 32.21 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 2.65 110.317 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.11 37.63 24.08 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.336 -0.847 . . . . 2.0 111.642 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -89.9 127.99 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.108 -0.496 . . . . 0.99 109.738 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 7.2 ptp180 -127.87 144.47 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.882 0.372 . . . . 4.06 110.804 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 t -109.86 128.23 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 1.58 110.463 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 28.2 ttm180 -136.72 133.62 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.941 0.401 . . . . 3.0 110.377 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m -88.67 136.4 33.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.057 -0.519 . . . . 0.86 111.34 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' THR . 30.8 m -125.71 140.25 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 1.51 110.258 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -120.41 -6.49 9.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.532 . . . . 1.55 111.034 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 49.7 m -150.06 142.13 15.46 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.471 . . . . 1.52 109.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 27.4 Cg_exo -62.17 -32.66 82.89 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.193 2.595 . . . . 1.05 112.452 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.414 0.626 . . . . 2.48 109.953 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 9.4 mm-40 -74.19 -45.23 49.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.096 -0.957 . . . . 2.7 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.84 74.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.7 110.542 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -56.77 -46.99 81.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.321 -0.854 . . . . 2.33 111.313 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 8.4 ptp180 -68.94 -29.35 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.832 -0.347 . . . . 3.61 110.548 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.89 -44.69 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 3.39 110.666 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.08 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.81 110.227 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -58.95 -46.19 88.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.966 0.412 . . . . 2.76 110.315 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.08 -31.13 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 2.57 110.685 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -80.03 -27.08 39.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.689 -0.687 . . . . 3.02 110.896 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.3 m -78.23 -38.69 42.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.171 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.35 125.9 49.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 4.14 110.874 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.749 -0.66 . . . . 6.29 110.834 -178.135 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.185 -0.302 . . . . 3.09 110.185 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 74' ' ' VAL . 30.7 mmm180 -129.75 143.8 50.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.765 -0.198 . . . . 3.31 110.853 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.78 114.88 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.76 109.262 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 66' ' ' ILE . 38.4 t -121.9 136.41 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.049 0.452 . . . . 0.46 111.56 -170.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.7 t -121.18 116.15 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.52 109.821 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 50' ' ' ILE . 21.3 mt -115.45 113.94 24.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.791 0.329 . . . . 1.33 110.651 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.82 133.01 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 1.36 110.795 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.22 94.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.37 109.993 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -175.91 -179.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 3.23 110.217 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -144.84 81.79 1.66 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.859 -0.793 . . . . 4.58 108.859 163.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -125.43 122.11 35.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 2.29 108.585 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -66.89 -32.13 73.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.125 0.417 . . . . 3.77 112.125 -171.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.17 -46.17 21.24 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.575 -0.45 . . . . 3.23 110.324 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.23 -54.03 51.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 1.39 110.724 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.435 HG23 HG21 ' A' ' 51' ' ' THR . 81.7 mt -61.29 -52.29 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.97 112.057 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 48.8 mt-10 -61.63 -56.47 19.51 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.191 -0.204 . . . . 2.42 111.537 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.9 -34.18 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 2.53 110.972 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.3 -46.56 66.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.61 110.45 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 49' ' ' LEU . 40.9 ttt180 -65.9 -35.24 80.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 2.73 111.196 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mmmm -59.8 -41.17 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 2.52 110.615 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 mmt -78.59 -30.18 46.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.243 -0.435 . . . . 2.61 110.556 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -53.37 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 0.75 111.461 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.02 -20.28 63.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.082 0.468 . . . . 2.57 110.665 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.6 -23.53 60.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.776 -0.647 . . . . 2.98 109.82 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 13.69 30.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.711 -0.677 . . . . 0.76 111.147 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 62.51 33.86 15.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.054 -0.521 . . . . 2.22 111.415 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.83 143.71 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.11 110.022 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -89.6 98.52 11.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.24 -0.652 . . . . 2.13 109.24 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 39' ' ' ARG . 9.4 tt -106.03 126.55 52.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 1.49 110.822 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 26' ' ' LEU . 81.0 mt -129.15 131.75 67.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.329 -0.85 . . . . 1.31 109.847 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 35' ' ' ILE . 3.8 p -94.71 128.03 41.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.313 0.577 . . . . 1.2 111.331 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.3 t -102.04 149.01 36.17 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.189 -0.914 . . . . 1.95 110.106 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.55 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -48.15 161.62 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.744 2.296 . . . . 2.29 111.332 165.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.05 13.45 0.35 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.243 0.857 . . . . 2.14 115.243 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.482 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 10.9 p -89.81 125.11 62.01 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 117.749 0.774 . . . . 1.75 110.82 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.94 -45.14 0.75 Allowed 'Trans proline' 0 C--N 1.335 -0.175 0 C-N-CA 123.211 2.608 . . . . 1.09 113.906 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -73.38 -34.24 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.576 0.226 . . . . 2.7 111.406 -175.554 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.22 -36.02 78.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.147 0.498 . . . . 2.3 110.417 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.45 81.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.78 110.975 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 51.1 mt -71.63 -33.03 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.215 -0.448 . . . . 1.03 110.227 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 47.1 mtp180 -66.41 -37.63 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.752 -0.462 . . . . 3.35 109.752 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -43.8 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.908 -0.775 . . . . 1.22 108.908 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.28 93.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 0.49 110.806 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 25.2 tp60 -57.53 -41.71 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.61 . . . . 2.12 110.572 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.58 -56.34 18.83 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.044 -0.526 . . . . 2.21 111.241 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 24' ' ' VAL . 52.6 mt -58.7 -37.55 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.66 110.713 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -61.85 -53.81 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.503 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 10.6 pt-20 -71.55 -27.67 63.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 2.46 111.502 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -91.14 4.16 52.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.643 -0.253 . . . . 2.41 111.112 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.81 133.31 43.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.679 0.276 . . . . 0.78 111.622 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.56 108.66 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.225 1.95 . . . . 1.34 111.947 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.69 -169.99 37.83 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.755 -0.657 . . . . 0.77 112.114 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 123.56 13.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.736 2.291 . . . . 0.9 111.394 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 22' ' ' ARG . 13.2 p -111.36 137.99 41.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.265 0.555 . . . . 1.5 110.578 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.93 101.32 7.78 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.772 -0.825 . . . . 2.58 108.772 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.486 ' CG1' HG22 ' A' ' 104' ' ' VAL . 6.0 p -128.53 137.57 56.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.152 0.501 . . . . 1.16 110.957 -177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.3 pt? -133.17 144.67 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 1.35 110.256 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -101.59 131.16 49.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 1.01 109.774 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.0 mm? -111.0 99.88 8.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.37 111.163 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 108' ' ' THR . 32.9 pt -94.84 153.63 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.917 -0.771 . . . . 1.4 108.917 173.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 p -68.83 153.47 43.73 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.527 -0.469 . . . . 2.07 110.506 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 108' ' ' THR . . . -46.47 -63.42 3.07 Favored Glycine 0 C--N 1.332 0.356 0 O-C-N 123.915 0.76 . . . . 1.09 114.295 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.2 m -78.95 98.44 6.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.202 0.525 . . . . 2.22 110.448 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.72 127.21 43.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.51 -0.768 . . . . 1.13 109.81 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 145.75 99.03 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.03 -0.532 . . . . 2.07 109.992 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -36.1 -47.65 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.463 2.775 . . . . 1.3 113.916 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.25 -29.71 66.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.045 0.45 . . . . 2.43 111.288 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -43.62 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.16 0.505 . . . . 2.37 109.941 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.04 -38.72 82.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.444 -0.798 . . . . 2.81 111.355 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 p -61.24 -48.03 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.149 0.5 . . . . 1.33 110.724 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -66.01 -35.44 80.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 2.41 110.977 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.16 -42.4 69.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.78 110.586 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -64.72 -34.94 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.44 111.042 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.85 -47.89 56.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 2.85 110.824 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.4 -40.24 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.63 111.762 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -55.87 -53.76 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.647 0.26 . . . . 0.64 111.231 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.93 -29.78 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 2.62 110.994 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.25 -45.54 59.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 2.66 110.383 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.1 -21.74 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 0.58 111.98 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 54.9 mtp180 -59.46 -17.29 29.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.702 0.26 . . . . 3.77 111.702 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.84 -18.03 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 3.24 111.394 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -119.89 27.25 8.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.933 0.397 . . . . 2.65 110.309 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.4 t30 66.67 57.33 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.277 -0.874 . . . . 2.0 111.303 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.486 HG22 ' CG1' ' A' ' 76' ' ' VAL . 43.6 t -120.73 113.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.99 109.742 175.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -114.84 153.63 30.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.667 -0.242 . . . . 4.06 110.499 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t -117.3 126.03 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.711 0.291 . . . . 1.58 111.04 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -120.31 157.83 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.666 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 2.6 p -104.98 139.4 39.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.86 111.161 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -116.41 133.19 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.019 0.438 . . . . 1.51 110.961 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t -116.73 -19.0 10.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 1.55 111.234 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.4 p -156.85 157.01 30.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.494 -0.321 . . . . 1.52 110.365 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.59 -19.46 67.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.183 . . . . 1.05 111.172 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.25 -54.98 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.702 -0.681 . . . . 2.48 109.816 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 28.7 mm-40 -65.73 -33.75 76.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 2.7 110.734 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -54.1 -49.61 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.267 . . . . 0.7 111.477 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -74.8 -13.33 60.57 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 2.33 111.04 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 45.8 ttt180 -64.91 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 3.61 110.999 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.578 ' CZ2' ' HG ' ' A' ' 79' ' ' LEU . 20.2 p-90 -67.65 -27.04 66.53 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.861 -0.336 . . . . 3.39 111.065 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.11 -49.93 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.059 0.457 . . . . 0.81 110.487 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.21 -33.89 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.365 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -69.78 -48.76 58.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 2.57 110.617 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 118' ' ' TRP . 7.5 t80 -60.12 -27.24 66.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.282 -0.872 . . . . 3.02 111.039 -176.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -73.09 -14.99 61.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.879 -0.6 . . . . 1.4 111.16 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -105.12 -41.11 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.269 . . . . 4.14 111.343 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 6.29 110.915 -179.822 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.765 0.317 . . . . 3.09 110.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -64.66 139.86 58.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.656 -0.498 . . . . 3.31 109.656 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' A' ' 47' ' ' LEU . 72.1 mt -117.85 115.4 24.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.202 0.525 . . . . 1.76 110.816 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.6 t -107.92 134.53 49.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 0.46 109.188 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -125.97 110.43 23.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.826 0.346 . . . . 0.52 110.723 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.4 mt -106.62 124.67 49.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.671 -0.492 . . . . 1.33 109.671 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.19 139.91 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.096 -0.502 . . . . 1.36 111.319 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -89.44 152.68 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.057 -0.72 . . . . 1.37 109.057 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 11.0 p -59.44 114.85 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 3.23 112.773 -171.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -131.7 -170.65 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.134 -1.432 . . . . 4.58 107.134 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -40.33 130.11 2.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 2.29 110.907 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -58.65 -29.14 66.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.303 -0.862 . . . . 3.77 112.654 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.6 tttm -75.32 -32.76 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.707 -0.479 . . . . 3.23 109.707 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 115' ' ' ALA . 62.1 tp -64.58 -41.74 96.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 1.39 110.686 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -39.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.136 0.493 . . . . 0.97 109.775 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 50.5 mt-10 -67.22 -46.3 74.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.401 175.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 70.8 mm-40 -57.91 -43.67 86.34 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.491 -0.322 . . . . 2.53 111.181 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.63 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.61 110.872 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 31.8 ttp180 -69.28 -34.42 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 2.73 110.86 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.9 mmtm -60.31 -41.78 94.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.179 0.514 . . . . 2.52 110.301 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.5 mmm -70.77 -40.2 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.689 . . . . 2.61 110.127 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -62.22 -53.58 53.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 0.75 111.445 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.01 -26.56 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 2.57 111.191 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 4.0 ttmp? -77.57 -42.37 35.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.177 -0.465 . . . . 2.98 111.038 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.72 13.23 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.953 0.406 . . . . 0.76 111.275 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 58.88 45.58 15.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.588 -0.733 . . . . 2.22 111.87 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 23' ' ' LEU . 18.1 mt -98.77 153.94 18.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.807 -0.633 . . . . 1.11 109.528 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.09 98.64 11.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.809 -0.441 . . . . 2.13 109.809 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.1 tm? -92.56 114.76 27.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.012 -0.366 . . . . 1.49 110.012 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 69.6 mt -125.26 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.076 -0.511 . . . . 1.31 109.964 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -113.67 105.56 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.565 -0.289 . . . . 1.2 110.366 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HG22 ' A' ' 50' ' ' ILE . 90.9 t -122.65 82.24 48.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 1.95 110.011 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HB3' ' H ' ' A' ' 29' ' ' SER . 84.6 Cg_endo -91.07 103.69 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.691 2.261 . . . . 2.29 114.127 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.19 -52.88 0.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.128 -1.51 . . . . 2.14 110.114 155.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.591 ' H ' ' CG ' ' A' ' 58' ' ' GLU . 19.1 m -120.38 168.61 10.17 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.073 -1.084 . . . . 1.75 108.073 163.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.8 -39.63 70.83 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 121.171 1.247 . . . . 1.09 112.032 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 55' ' ' SER . 1.3 mp0 -69.13 -19.88 64.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.811 0.301 . . . . 2.7 111.811 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.591 ' CG ' ' H ' ' A' ' 55' ' ' SER . 17.6 mm-40 -60.94 -40.36 92.97 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.046 0.451 . . . . 2.3 110.271 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.45 80.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.78 110.16 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 49.8 mt -69.8 -39.62 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 1.03 111.477 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -67.27 -41.44 85.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.836 0.35 . . . . 3.35 110.107 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -61.84 -38.58 88.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.81 -0.811 . . . . 1.22 108.81 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -58.47 -49.34 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.194 -0.912 . . . . 0.49 111.344 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.72 -37.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 2.12 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.76 -45.67 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.187 -0.46 . . . . 2.21 110.462 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.82 -39.74 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.66 110.53 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 0.63 111.376 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.91 -29.31 19.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 2.46 110.689 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -91.37 -22.8 20.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.972 -0.558 . . . . 2.41 112.304 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 118.81 69.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.563 0.221 . . . . 0.78 110.751 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -84.28 108.02 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.275 1.983 . . . . 1.34 112.023 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.72 -173.13 21.35 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.813 -0.63 . . . . 0.77 111.734 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.4 118.49 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.359 2.039 . . . . 0.9 111.254 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.92 123.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.99 0.424 . . . . 1.5 110.592 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -108.11 131.06 55.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.429 -0.582 . . . . 2.58 109.429 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 t -105.33 125.41 60.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.999 0.428 . . . . 1.16 110.459 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 115.56 30.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.173 -0.677 . . . . 1.35 109.173 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 62.4 t -104.03 115.51 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.902 0.382 . . . . 1.01 110.499 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.18 106.34 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.19 126.19 38.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.008 -0.738 . . . . 1.4 109.008 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.4 t -67.09 155.5 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.663 -0.244 . . . . 2.07 110.951 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.91 9.01 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.892 -0.594 . . . . 1.09 114.153 -172.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 p -84.01 97.59 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.217 0.532 . . . . 2.22 111.548 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . -102.76 146.59 28.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.13 109.923 173.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.99 152.92 63.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.93 -0.396 . . . . 2.07 109.93 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -44.93 -51.31 7.64 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.734 2.956 . . . . 1.3 113.861 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.88 -44.5 63.67 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.902 -0.319 . . . . 2.43 110.69 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.77 -34.25 69.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 2.37 111.345 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' A' ' 84' ' ' ALA . 62.4 mttm -56.26 -50.39 71.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.108 0.48 . . . . 2.81 110.632 175.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -75.17 -35.55 61.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 1.33 111.108 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HE2' ' OE2' ' A' ' 57' ' ' GLU . 56.6 mtpt -65.21 -38.23 89.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 2.41 110.851 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.12 -29.8 67.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.993 0.425 . . . . 0.78 110.043 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -66.29 -51.1 60.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.861 -0.608 . . . . 2.44 110.455 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -59.58 -39.62 84.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.308 -0.405 . . . . 2.85 110.908 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.85 87.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.63 110.812 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.79 92.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.999 -0.546 . . . . 0.64 111.271 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.7 -39.54 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 2.62 111.003 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.25 -42.48 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 2.66 110.229 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.51 -13.21 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.614 . . . . 0.58 111.827 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -60.06 -39.88 87.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.565 -0.288 . . . . 3.77 111.195 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -75.64 -3.83 36.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.166 0.508 . . . . 3.24 110.762 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -103.12 13.02 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.766 -0.652 . . . . 2.65 109.885 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.4 t30 62.68 39.71 10.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.87 0.843 . . . . 2.0 110.512 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 91.4 t -109.64 134.0 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 0.99 109.757 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -126.74 134.99 50.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.457 -0.338 . . . . 4.06 110.687 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.28 139.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.191 0.519 . . . . 1.58 110.661 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -137.44 111.57 8.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.586 -0.734 . . . . 3.0 109.268 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 m -77.37 135.53 38.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.801 0.334 . . . . 0.86 110.375 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 115' ' ' ALA . 93.9 t -123.71 110.63 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.696 -0.684 . . . . 1.51 110.294 -178.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.3 t -104.96 -15.13 15.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.34 0.591 . . . . 1.55 109.696 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m -135.18 130.53 19.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 1.52 109.996 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.15 -29.51 16.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.987 3.125 . . . . 1.05 114.457 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.91 -25.38 65.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.749 -0.205 . . . . 2.48 111.148 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.8 -57.2 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.683 0.278 . . . . 2.7 110.703 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -56.1 -50.65 70.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.7 111.577 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.58 -32.75 71.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 2.33 110.744 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -76.21 -49.99 15.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.723 -0.671 . . . . 3.61 110.824 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -64.37 -46.61 82.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 3.39 111.572 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.88 -39.92 59.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.81 110.731 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.9 tttm -64.46 -46.09 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.506 -0.315 . . . . 2.76 110.433 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -38.4 91.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.605 0.241 . . . . 2.57 110.864 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -69.06 -26.04 64.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 3.02 110.712 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.5 m -83.25 -11.01 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 1.4 110.521 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 81.7 mm-40 -87.11 -6.98 58.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 4.14 110.249 177.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.652 -0.689 . . . . 6.29 110.582 -179.182 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.987 -0.375 . . . . 3.09 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -101.89 97.25 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.566 0.698 . . . . 3.31 110.801 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 123' ' ' SER . 71.3 mt -91.37 120.31 32.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.87 . . . . 1.76 109.198 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 34.4 t -111.49 120.61 62.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.821 -0.437 . . . . 0.46 109.821 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.8 t -123.33 113.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.949 0.404 . . . . 0.52 110.728 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.7 mp -107.22 120.98 43.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.336 -0.616 . . . . 1.33 109.336 174.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 79' ' ' LEU . 2.6 pp -110.35 144.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.148 -0.621 . . . . 1.36 110.83 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 25.3 t -88.87 137.25 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.119 -0.946 . . . . 1.37 109.412 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -64.39 166.3 8.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.159 1.17 . . . . 3.23 114.159 -170.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 81' ' ' THR . 5.8 t-20 179.42 -168.81 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.245 -1.798 . . . . 4.58 106.491 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -38.06 133.16 0.93 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.401 0.438 . . . . 2.29 110.731 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -61.45 -18.1 57.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.034 0.753 . . . . 3.77 113.034 -170.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.71 -39.08 90.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.068 0.461 . . . . 3.23 109.982 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.68 -49.59 62.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.396 -0.82 . . . . 1.39 110.331 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.44 -50.81 70.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.296 -0.865 . . . . 0.97 111.255 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 46.8 mm-40 -61.14 -52.05 66.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.616 . . . . 2.42 111.254 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' HE3' ' A' ' 41' ' ' MET . 13.9 tp10 -65.26 -39.04 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.546 -0.297 . . . . 2.53 111.395 -172.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.47 97.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.49 . . . . 0.61 110.677 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -68.16 -32.84 73.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 2.73 110.555 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 84.1 mttt -63.27 -35.79 81.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.052 -0.522 . . . . 2.52 110.593 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.52 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 42.7 mtt -72.25 -29.13 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.884 -0.598 . . . . 2.61 110.565 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.24 66.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.898 -0.592 . . . . 0.75 111.35 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.71 -21.32 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 2.57 111.146 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -79.71 -44.31 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 2.98 110.933 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.88 5.06 47.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.955 -0.566 . . . . 0.76 111.546 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 60.1 38.35 20.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.636 -0.711 . . . . 2.22 111.751 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.39 153.99 32.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.11 110.334 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -92.68 105.79 17.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.126 -0.488 . . . . 2.13 109.784 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.57 134.1 52.32 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.14 0.495 . . . . 1.49 110.781 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.434 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 4.2 mp -116.52 126.79 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.754 . . . . 1.31 109.626 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -87.33 106.97 18.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.11 0.481 . . . . 1.2 110.892 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 53' ' ' PRO . 54.7 t -104.35 145.34 30.49 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.587 . . . . 1.95 111.361 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -37.18 163.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.591 3.527 . . . . 2.29 115.509 165.759 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 28' ' ' VAL . . . -68.71 12.41 1.04 Allowed Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 112.754 -2.021 . . . . 2.14 114.569 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -110.32 118.63 48.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 1.75 110.789 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.64 -27.55 81.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.006 2.471 . . . . 1.09 111.996 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.68 -54.28 19.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.705 -0.68 . . . . 2.7 110.561 171.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.15 -44.28 84.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.3 110.425 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.99 -60.98 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.883 0.697 . . . . 0.78 112.883 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 HG12 HG11 ' A' ' 78' ' ' VAL . 20.7 mt -69.31 -31.74 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 1.03 111.274 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -68.01 -41.36 82.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.126 -0.488 . . . . 3.35 109.712 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.8 tp -71.33 -30.75 66.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 1.22 110.191 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.68 91.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.49 110.767 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -67.24 -37.5 83.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.521 . . . . 2.12 110.637 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.69 -57.22 13.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.788 -0.642 . . . . 2.21 110.6 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.71 -34.73 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.66 110.79 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -61.16 -44.15 97.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.069 0.462 . . . . 0.63 111.724 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' OE2' ' HE3' ' A' ' 69' ' ' LYS . 31.6 tt0 -72.68 -37.71 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 2.46 110.761 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HE3' ' OE2' ' A' ' 68' ' ' GLU . 33.2 mmtp -89.08 1.69 55.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 2.41 112.107 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.93 123.05 68.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.548 0.213 . . . . 0.78 110.95 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.12 108.78 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.171 1.914 . . . . 1.34 112.318 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 74' ' ' VAL . . . 133.9 -170.85 22.31 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.045 -0.598 . . . . 0.77 111.816 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.67 117.95 5.24 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.176 1.917 . . . . 0.9 110.384 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' GLY . 79.1 t -113.41 126.56 70.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.179 0.514 . . . . 1.5 111.747 -171.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 22.7 tptm -133.89 117.53 16.89 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.378 -0.971 . . . . 2.58 108.378 173.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG21 ' HB2' ' A' ' 67' ' ' ALA . 14.1 t -113.99 147.62 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.12 0.486 . . . . 1.16 111.512 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.05 124.16 17.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.694 -0.854 . . . . 1.35 108.694 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 13.5 p -114.59 128.56 71.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.458 0.647 . . . . 1.01 110.168 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' HB2' HG22 ' A' ' 27' ' ' ILE . 2.8 mm? -107.69 99.53 9.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.323 -0.853 . . . . 1.37 110.827 -171.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 1.6 tt -81.66 124.47 39.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.435 -0.579 . . . . 1.4 109.435 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 30' ' ' ASN . 61.0 m -108.51 124.21 50.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.061 -0.518 . . . . 2.07 111.04 -170.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.59 15.86 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.988 -0.625 . . . . 1.09 111.955 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -110.09 135.75 50.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.895 -0.409 . . . . 2.22 109.895 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.92 115.5 21.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 1.13 111.151 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -69.98 152.16 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 2.07 109.877 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -41.54 -49.68 5.05 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.686 2.924 . . . . 1.3 114.296 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 5.4 m-20 -60.17 -54.91 40.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 2.43 110.745 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 91' ' ' LYS . 13.5 mm-40 -69.81 -26.74 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.094 -0.503 . . . . 2.37 111.398 -176.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -63.57 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.513 0.673 . . . . 2.81 109.223 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 m -75.35 -33.62 61.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 1.33 110.355 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 33.2 mmtp -62.87 -45.1 94.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.992 -0.549 . . . . 2.41 109.957 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.52 75.21 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.119 -0.946 . . . . 0.78 110.857 -171.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -35.15 80.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 2.44 111.257 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -75.44 -53.66 8.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.021 -0.536 . . . . 2.85 110.573 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.0 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.069 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -60.48 -39.7 88.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.64 110.992 178.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.51 -41.13 84.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.769 -0.65 . . . . 2.62 110.575 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.49 -39.92 67.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 2.66 110.41 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.94 -12.19 60.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.58 112.151 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 38.9 mtp180 -55.44 -26.76 43.92 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.739 0.274 . . . . 3.77 111.739 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.22 -33.1 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 3.24 110.963 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.466 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 30.0 m-90 -102.77 9.2 39.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 2.65 110.738 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 64.62 36.94 8.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.544 -0.753 . . . . 2.0 111.347 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.556 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 39.8 t -82.16 107.25 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.99 109.987 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -92.5 143.69 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 4.06 111.091 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.421 HG22 ' CG1' ' A' ' 78' ' ' VAL . 47.4 t -110.69 123.75 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.56 . . . . 1.58 110.217 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -128.37 145.66 51.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.848 0.356 . . . . 3.0 110.628 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 m -100.52 133.65 44.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.011 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.86 110.4 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.15 -0.477 . . . . 1.51 110.052 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m -99.86 -27.6 13.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.349 0.595 . . . . 1.55 109.975 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.1 p -135.95 142.4 40.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.27 -0.641 . . . . 1.52 109.27 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.92 -18.81 36.84 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.199 2.599 . . . . 1.05 113.856 -172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.44 -20.93 61.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 2.48 110.625 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.63 -37.67 62.74 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.969 -0.382 . . . . 2.7 109.969 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.89 69.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.7 110.677 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -59.3 -32.64 70.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 2.33 110.411 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -73.08 -59.2 2.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 3.61 111.156 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -66.52 -33.19 75.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.479 0.548 . . . . 3.39 112.479 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.82 -46.55 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.808 -0.357 . . . . 0.81 110.487 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HA ' ' OG ' ' A' ' 123' ' ' SER . 63.8 mttp -70.86 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 2.76 110.998 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.72 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 2.57 109.791 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 93.4 t80 -78.87 -36.03 42.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.009 -0.996 . . . . 3.02 110.983 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 120' ' ' LYS . 25.4 p -81.2 -54.74 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.4 111.538 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -145.61 -80.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.778 -0.192 . . . . 4.14 110.659 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.244 0.8 0 CA-C-O 118.668 -0.682 . . . . 6.29 110.789 -179.513 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.933 0.397 . . . . 3.09 110.055 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.529 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 10.4 mmm180 -116.61 98.31 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.47 -0.332 . . . . 3.31 111.046 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.86 100.22 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 1.76 109.555 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -106.27 132.9 52.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.968 -0.56 . . . . 0.46 111.476 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 110.56 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.52 109.913 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD23 ' HB ' ' A' ' 50' ' ' ILE . 19.8 mt -106.59 113.2 26.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.916 -0.584 . . . . 1.33 109.978 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.6 tt -116.64 133.5 63.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.43 0.633 . . . . 1.36 111.989 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 80' ' ' ILE . 2.7 p -124.58 103.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.243 -0.89 . . . . 1.37 109.037 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.535 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 59.1 m -145.76 -178.82 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.248 0.462 . . . . 3.23 112.248 -174.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -78.21 -170.84 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.226 -0.897 . . . . 4.58 111.189 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -8.89 128.3 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.023 1.729 . . . . 2.29 114.911 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 57.9 mtpt -60.7 -14.78 23.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.741 -1.118 . . . . 3.77 113.529 -171.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -53.28 -44.37 68.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.071 0.462 . . . . 3.23 110.54 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -41.38 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.603 -0.726 . . . . 1.39 110.748 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 64.8 mt -65.13 -47.44 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.97 111.275 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 mm-40 -58.26 -43.65 88.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 2.42 110.556 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' MET . 43.6 tt0 -61.96 -42.71 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.241 -0.436 . . . . 2.53 110.294 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.5 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.834 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 67.1 mtp180 -63.61 -36.48 83.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 2.73 110.753 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 75.7 mmtt -63.06 -31.84 73.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 2.52 110.446 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.4 mmt -76.12 -37.44 58.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 2.61 109.669 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.16 72.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.75 111.441 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -62.35 -27.17 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 2.57 111.027 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -69.54 -60.27 2.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.215 -0.448 . . . . 2.98 111.255 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.84 16.68 15.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.76 111.711 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.39 58.6 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.282 -0.872 . . . . 2.22 111.959 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.87 137.27 41.29 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.283 -1.006 . . . . 1.11 108.283 170.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 12.2 tt0 -81.39 97.97 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.213 0.53 . . . . 2.13 109.747 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 116.64 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.318 -0.856 . . . . 1.49 109.737 -176.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HB ' HD23 ' A' ' 26' ' ' LEU . 36.2 mm -126.19 131.29 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 1.31 109.704 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 p -85.59 130.29 34.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.209 -0.451 . . . . 1.2 111.301 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 53' ' ' PRO . 66.9 t -105.06 143.15 26.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.755 -0.657 . . . . 1.95 111.016 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.613 ' O ' HG12 ' A' ' 52' ' ' VAL . 9.2 Cg_endo -53.44 161.61 3.9 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.019 2.479 . . . . 2.29 111.951 168.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.18 12.79 0.41 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.334 0.894 . . . . 2.14 115.334 -170.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -108.99 118.47 51.36 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 117.46 0.63 . . . . 1.75 110.423 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HD2' ' OE1' ' A' ' 88' ' ' GLU . 46.2 Cg_exo -58.26 -26.42 76.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.011 2.474 . . . . 1.09 112.372 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.492 -0.776 . . . . 2.7 110.479 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.8 tp10 -67.84 -36.7 80.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.459 -177.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.8 86.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.78 111.203 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 95' ' ' ALA . 50.0 mm -72.08 -39.89 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.082 -0.508 . . . . 1.03 111.029 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 61' ' ' ARG . 56.2 mtt180 -73.13 -27.15 61.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.45 -0.341 . . . . 3.35 111.496 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -67.59 -40.94 84.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.709 -0.849 . . . . 1.22 108.709 173.517 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.67 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.47 -0.786 . . . . 0.49 110.406 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.712 . . . . 2.12 110.569 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.7 -55.57 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 2.21 110.605 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.84 -35.97 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 0.66 111.276 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -60.6 -36.01 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.332 . . . . 0.63 111.843 -178.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.1 -22.59 20.64 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.835 -0.346 . . . . 2.46 111.725 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -83.22 -29.07 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.704 0.288 . . . . 2.41 111.361 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 22' ' ' ARG . . . -80.76 122.38 82.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.521 -0.309 . . . . 0.78 111.296 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.02 108.79 1.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.296 1.998 . . . . 1.34 112.038 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.11 -155.98 18.86 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.77 112.234 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.56 119.83 6.73 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.827 2.351 . . . . 0.9 111.672 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 67' ' ' ALA . 4.9 t -118.71 137.18 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.825 0.345 . . . . 1.5 110.407 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -141.75 117.16 10.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.903 -0.777 . . . . 2.58 108.903 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 104' ' ' VAL . 18.8 t -119.07 140.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.295 0.569 . . . . 1.16 111.664 -174.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 tp -123.41 124.86 43.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 1.35 109.402 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.8 m -105.99 129.03 59.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.217 0.532 . . . . 1.01 110.523 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 107' ' ' ARG . 74.2 mt -109.17 100.01 9.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.748 -0.66 . . . . 1.37 110.326 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.489 ' HA ' HG13 ' A' ' 28' ' ' VAL . 37.2 pt -94.4 133.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.826 -0.435 . . . . 1.4 109.826 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.535 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 5.5 t -92.05 152.2 20.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.037 0.446 . . . . 2.07 111.647 -175.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.38 -146.65 50.48 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.462 -0.79 . . . . 1.09 112.803 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -109.93 143.31 40.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.546 -0.539 . . . . 2.22 109.546 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 125.12 28.5 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.54 -0.541 . . . . 1.13 109.54 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.08 156.5 10.27 Favored Pre-proline 0 C--O 1.222 -0.381 0 CA-C-N 115.943 -0.571 . . . . 2.07 110.166 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -37.27 -50.88 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.674 2.916 . . . . 1.3 114.203 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -71.79 -45.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 2.43 110.795 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 56' ' ' PRO . 8.3 mm-40 -63.2 -30.44 71.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.781 -0.645 . . . . 2.37 111.014 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.63 -52.42 60.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 2.81 111.256 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -73.7 -26.11 60.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.038 0.447 . . . . 1.33 110.145 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -69.14 -50.23 49.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 2.41 110.437 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.72 -20.77 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.78 110.473 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.75 -48.21 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 2.44 109.825 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.5 -39.88 88.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 2.85 110.348 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.5 -34.68 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.042 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.87 90.3 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.64 111.609 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -73.03 -23.36 60.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 2.62 110.961 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.707 ' O ' ' HE3' ' A' ' 101' ' ' LYS . 8.7 tp10 -71.28 -54.88 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.612 -0.514 . . . . 2.66 109.612 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -69.82 -13.99 62.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.186 0.517 . . . . 0.58 111.262 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.87 -26.13 65.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.77 110.761 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HE3' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.6 -23.19 65.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.463 -0.335 . . . . 3.24 111.6 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -112.78 24.54 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 2.65 111.249 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 60.36 37.36 20.18 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.939 -0.573 . . . . 2.0 111.91 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 40.1 t -93.86 109.65 22.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.635 -0.506 . . . . 0.99 109.635 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -92.4 134.72 34.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 4.06 110.807 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.69 129.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 1.58 110.16 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.435 ' HB3' HD23 ' A' ' 79' ' ' LEU . 3.0 tpm_? -137.11 155.82 49.14 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.865 -0.42 . . . . 3.0 109.865 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 26.2 m -116.28 135.6 53.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.86 111.122 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.14 118.47 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.716 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -118.77 -7.55 10.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.853 0.358 . . . . 1.55 110.875 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.1 p -153.06 148.5 20.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 1.52 110.78 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -45.7 -45.62 16.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.119 2.546 . . . . 1.05 113.572 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.22 -42.22 51.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.883 -0.599 . . . . 2.48 112.104 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.2 -55.34 29.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.126 -0.488 . . . . 2.7 110.568 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.75 70.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.39 . . . . 0.7 110.856 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -57.9 -47.74 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.689 -0.687 . . . . 2.33 111.503 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 117' ' ' ARG . 11.6 ptp180 -78.74 -27.94 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.884 -0.326 . . . . 3.61 111.491 -175.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -69.43 -40.16 77.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.788 0.328 . . . . 3.39 110.264 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -36.1 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.81 110.135 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -58.17 -55.53 33.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 2.76 111.311 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.96 -33.46 74.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.703 0.287 . . . . 2.57 111.109 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -66.43 -38.86 88.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.02 110.561 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -75.17 -53.86 8.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 1.4 110.364 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 53.2 58.45 5.26 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.578 0.704 . . . . 4.14 109.69 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.289 -0.863 . . . . 6.29 109.989 -176.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.463 ' SD ' ' HE3' ' A' ' 75' ' ' LYS . 52.7 tpp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.081 -0.34 . . . . 3.09 110.081 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.589 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 4.3 mmp_? -100.61 102.71 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 3.31 111.153 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.49 113.1 25.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.532 -0.544 . . . . 1.76 109.532 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 t -116.4 135.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.749 -0.66 . . . . 0.46 110.186 -176.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 42.4 t -132.03 119.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.982 -0.377 . . . . 0.52 109.982 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 5.3 mp -105.42 116.02 31.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.818 -0.808 . . . . 1.33 108.818 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 29' ' ' SER . 0.3 OUTLIER -102.43 126.59 56.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.775 -0.648 . . . . 1.36 109.843 -173.127 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.08 97.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.48 -1.304 . . . . 1.37 107.48 170.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB2' HD12 ' A' ' 27' ' ' ILE . 24.0 t -116.01 141.69 47.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.72 0.771 . . . . 3.23 112.766 -165.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -78.44 -170.12 1.93 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.071 -1.422 . . . . 4.58 108.242 164.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t0 -8.01 126.37 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.996 1.435 . . . . 2.29 114.274 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.25 -13.71 5.67 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.527 0.936 . . . . 3.77 113.527 -170.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' A' ' 31' ' ' ASP . 49.1 mttp -56.36 -32.23 64.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.073 0.463 . . . . 3.23 110.381 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 81' ' ' THR . 29.9 tp -76.73 -45.1 30.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 1.39 110.399 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.6 -46.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.648 -0.706 . . . . 0.97 110.513 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 52.6 mm-40 -52.32 -62.53 1.58 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 2.42 111.426 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -56.14 -42.52 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 2.53 111.39 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.7 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.61 111.153 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -71.74 -32.09 67.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 2.73 110.883 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.3 mmtm -56.5 -50.66 71.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.056 -0.52 . . . . 2.52 111.036 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.6 mmt -74.52 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 2.61 111.272 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.5 75.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 0.75 110.891 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.9 -37.23 83.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.987 0.422 . . . . 2.57 110.322 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.06 -30.71 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 2.98 111.328 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.48 11.44 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.76 111.434 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 61.68 51.85 3.79 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.753 0.787 . . . . 2.22 110.642 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.543 HD11 ' OG ' ' A' ' 123' ' ' SER . 27.4 mt -115.47 156.21 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.574 -0.739 . . . . 1.11 109.197 175.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . 4.3 tp10 -101.03 100.03 10.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.031 -0.359 . . . . 2.13 110.031 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.6 tt -108.58 127.67 54.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 1.49 110.367 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 52' ' ' VAL . 63.0 mt -122.22 137.84 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.355 -0.839 . . . . 1.31 109.857 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.489 HG22 ' HD3' ' A' ' 53' ' ' PRO . 26.0 m -109.82 100.83 9.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.583 0.23 . . . . 1.2 110.698 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 50' ' ' ILE . 58.5 t -126.8 82.06 68.08 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 1.95 110.601 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HD3' HG22 ' A' ' 51' ' ' THR . 87.4 Cg_endo -90.23 104.14 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.483 2.122 . . . . 2.29 113.365 171.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.42 -51.04 0.2 Allowed Glycine 0 CA--C 1.506 -0.504 0 C-N-CA 119.296 -1.43 . . . . 2.14 109.723 160.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -119.22 158.26 48.93 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.917 -1.142 . . . . 1.75 107.917 157.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' ILE . 68.7 Cg_exo -56.69 -40.99 80.47 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 121.206 1.27 . . . . 1.09 110.553 168.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.92 -30.07 71.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.157 -0.929 . . . . 2.7 111.788 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.96 -44.7 94.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.947 0.404 . . . . 2.3 110.933 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.25 74.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 0.78 110.651 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' PRO . 13.3 mm -64.66 -41.41 92.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.122 0.487 . . . . 1.03 110.294 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -74.49 -30.69 61.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 3.35 110.599 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.0 tp -73.05 -30.3 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 1.22 110.196 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.44 74.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.49 110.576 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -63.02 -39.18 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.387 -0.824 . . . . 2.12 110.762 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 12.9 mm-40 -69.73 -48.97 57.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 2.21 110.718 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 HD11 ' A' ' 26' ' ' LEU . 72.1 mt -61.19 -38.99 80.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.66 111.099 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.3 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.63 111.28 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.24 -46.23 56.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.216 0.531 . . . . 2.46 110.694 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 14.6 mmmm -77.02 -17.43 58.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.621 . . . . 2.41 111.955 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.49 120.41 76.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.21 -0.292 . . . . 0.78 110.21 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.51 108.08 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.137 1.891 . . . . 1.34 112.236 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.52 -167.27 23.95 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.888 -0.673 . . . . 0.77 111.934 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.5 119.27 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.503 2.135 . . . . 0.9 111.397 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.62 137.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.264 -0.426 . . . . 1.5 110.961 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HE3' ' SD ' ' A' ' 21' ' ' MET . 90.3 mttt -127.83 113.86 16.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.494 -0.928 . . . . 2.58 108.494 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 10.5 t -114.51 135.31 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.216 0.531 . . . . 1.16 111.497 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 20.5 mt -115.76 142.55 46.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.965 -0.561 . . . . 1.35 109.726 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 26' ' ' LEU . 2.7 m -128.09 118.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.918 -0.583 . . . . 1.01 109.64 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.5 mt -109.41 124.44 51.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.617 -0.72 . . . . 1.37 110.469 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.1 pt -104.12 145.29 13.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.415 -0.587 . . . . 1.4 109.415 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 32.1 p -114.35 151.56 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.025 0.441 . . . . 2.07 112.016 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.13 -156.66 50.47 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.687 -0.688 . . . . 1.09 111.924 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -100.62 105.49 16.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.921 0.391 . . . . 2.22 110.554 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.29 120.64 16.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 1.13 109.716 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.34 158.5 56.74 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.455 . . . . 2.07 110.47 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -46.21 11.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.855 2.37 . . . . 1.3 112.846 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 5.7 m-20 -60.83 -35.99 77.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 2.43 111.249 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 50.7 mt-10 -81.12 -43.58 19.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.082 -0.508 . . . . 2.37 110.515 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.24 -40.73 95.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.496 -0.774 . . . . 2.81 111.192 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -62.15 -48.52 79.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 1.33 110.941 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 95.5 mttt -59.94 -41.5 91.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 2.41 110.69 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.12 70.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.78 110.718 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.74 -41.43 78.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 2.44 110.59 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -68.38 -44.8 74.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 2.85 110.38 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.16 80.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.63 110.353 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -61.15 -30.64 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.64 111.254 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.96 -48.78 28.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 2.62 110.387 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.61 -39.33 84.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 2.66 110.699 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 104' ' ' VAL . . . -79.39 -13.57 59.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.046 -0.525 . . . . 0.58 111.989 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 51.5 ttm-85 -55.92 -28.62 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 3.77 110.552 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.63 -18.3 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.681 -0.691 . . . . 3.24 111.11 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -96.98 8.2 44.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 2.65 110.938 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.4 t30 66.69 34.96 5.43 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.519 -0.764 . . . . 2.0 111.01 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 8.8 p -105.46 139.22 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.99 109.76 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.8 131.59 49.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 4.06 110.673 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.494 ' HA ' HG23 ' A' ' 78' ' ' VAL . 21.6 t -96.0 124.17 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 1.58 110.86 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.62 143.03 50.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.576 -0.528 . . . . 3.0 109.576 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 m -99.37 125.71 45.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.787 0.327 . . . . 0.86 110.509 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' THR . 31.5 m -123.87 145.63 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 1.51 110.298 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -118.3 -36.47 3.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 1.55 111.108 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -116.03 150.81 45.73 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.068 -0.515 . . . . 1.52 110.467 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.28 -32.48 88.19 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.26 2.64 . . . . 1.05 113.12 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.78 -36.03 77.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.975 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.26 -53.43 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 2.7 110.497 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.0 88.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.7 110.832 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.35 -36.07 79.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.595 . . . . 2.33 110.498 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -65.81 -50.26 65.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.651 . . . . 3.61 110.701 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -61.25 -44.68 96.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 3.39 111.206 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.64 -52.31 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.325 . . . . 0.81 111.441 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -62.71 -39.79 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 2.76 110.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.17 -47.24 80.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 2.57 110.326 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.75 -24.85 67.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 3.02 111.52 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.543 ' OG ' HD11 ' A' ' 47' ' ' LEU . 50.2 m -59.7 -36.55 76.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.183 -0.462 . . . . 1.4 111.875 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 70.16 -59.52 0.51 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.474 0.709 . . . . 4.14 111.819 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.976 -0.535 . . . . 6.29 110.639 -177.61 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.838 0.351 . . . . 3.09 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HB3' HG12 ' A' ' 74' ' ' VAL . 0.9 OUTLIER -113.32 96.42 5.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.389 0.614 . . . . 3.31 110.995 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -108.94 115.29 29.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.475 -0.784 . . . . 1.76 109.071 174.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 76' ' ' VAL . 44.3 t -107.47 133.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.778 -0.646 . . . . 0.46 110.423 -174.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 9.2 t -124.75 109.96 23.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 0.52 110.543 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.1 121.6 45.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.1 -0.5 . . . . 1.33 109.776 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.555 HG23 HG22 ' A' ' 51' ' ' THR . 6.1 tt -125.52 145.77 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 1.36 110.925 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.95 151.77 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 1.37 109.856 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 6.0 p -62.43 138.6 58.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.444 0.535 . . . . 3.23 112.444 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -156.7 -172.7 4.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.289 -1.374 . . . . 4.58 107.289 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.59 139.08 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.392 -0.596 . . . . 2.29 109.392 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -62.33 -19.03 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.842 -0.617 . . . . 3.77 112.184 -171.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -60.9 -38.08 84.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.963 0.411 . . . . 3.23 110.268 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.43 -49.19 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.759 -0.655 . . . . 1.39 110.603 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.5 -41.25 91.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.855 -0.611 . . . . 0.97 111.109 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 41.4 mt-10 -60.69 -55.15 36.73 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.121 -0.232 . . . . 2.42 111.139 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.11 -30.56 71.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.317 . . . . 2.53 111.244 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.17 88.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.61 110.266 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -64.72 -42.31 95.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 2.73 111.476 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 74.8 mmtt -57.87 -41.07 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.833 0.349 . . . . 2.52 110.448 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 116' ' ' LYS . 86.4 mmm -72.58 -38.8 67.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.907 -0.588 . . . . 2.61 111.087 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -65.74 -58.65 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.75 110.884 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.38 -23.31 66.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 2.57 110.97 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -58.16 -43.85 87.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.14 0.495 . . . . 2.98 110.672 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.01 30.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.76 110.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 62.09 42.58 9.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.468 -0.787 . . . . 2.22 110.884 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -92.41 145.91 24.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 176.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.42 99.68 11.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.752 0.787 . . . . 2.13 110.858 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.8 tm? -87.95 116.95 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.707 -1.133 . . . . 1.49 108.791 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG22 HG23 ' A' ' 52' ' ' VAL . 40.2 mm -129.44 135.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.909 0.385 . . . . 1.31 110.757 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.555 HG22 HG23 ' A' ' 27' ' ' ILE . 24.4 p -103.75 100.88 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.472 . . . . 1.2 110.799 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 50' ' ' ILE . 41.1 t -121.78 82.33 41.98 Favored Pre-proline 0 N--CA 1.465 0.324 0 C-N-CA 120.488 -0.485 . . . . 1.95 110.901 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HB3' ' H ' ' A' ' 29' ' ' SER . 89.0 Cg_endo -90.84 104.87 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.847 2.365 . . . . 2.29 113.885 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.76 -52.67 0.15 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.705 -1.712 . . . . 2.14 111.372 160.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.427 ' H ' ' HB2' ' A' ' 58' ' ' GLU . 36.7 m -121.55 170.76 7.02 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.956 -0.757 . . . . 1.75 108.956 164.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' ILE . 22.0 Cg_exo -63.09 -48.47 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.238 1.292 . . . . 1.09 110.348 166.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -24.49 67.74 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.809 -0.632 . . . . 2.7 111.639 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 55' ' ' SER . 7.7 tp10 -56.72 -51.14 69.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 2.3 110.57 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.03 -32.28 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.78 110.956 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 106' ' ' VAL . 6.4 mm -70.26 -44.96 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.195 0.522 . . . . 1.03 110.235 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 3.35 110.208 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -43.45 87.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.795 -0.817 . . . . 1.22 108.795 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.37 -49.19 78.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.33 -0.85 . . . . 0.49 110.834 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -47.73 78.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.528 -0.76 . . . . 2.12 110.019 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 36.2 tt0 -55.56 -52.44 63.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 2.21 111.168 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.46 -44.73 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.539 -0.301 . . . . 0.66 110.985 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.481 -0.327 . . . . 0.63 111.469 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.59 -47.69 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 2.46 110.841 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.8 mmtp -78.77 -10.75 59.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.576 . . . . 2.41 111.447 -174.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' CB ' HG11 ' A' ' 74' ' ' VAL . . . -77.97 128.41 78.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.312 -0.404 . . . . 0.78 111.066 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 9.9 Cg_exo -75.4 108.83 2.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.754 2.303 . . . . 1.34 112.216 175.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 -168.32 15.22 Favored Glycine 0 C--N 1.315 -0.597 0 CA-C-N 115.658 -0.701 . . . . 0.77 113.408 171.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.29 119.54 6.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.447 2.765 . . . . 0.9 112.506 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 22' ' ' ARG . 17.6 m -128.74 163.73 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 1.5 110.738 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -147.58 107.7 4.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.013 -0.736 . . . . 2.58 109.013 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 24' ' ' VAL . 38.5 t -100.53 127.43 53.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.092 0.472 . . . . 1.16 110.833 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 69.3 tp -108.73 117.11 33.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.636 -0.711 . . . . 1.35 109.709 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 60' ' ' ILE . 46.3 t -105.83 131.68 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 110.066 -0.346 . . . . 1.01 110.066 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.9 mt -114.26 104.34 11.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 1.37 110.735 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.07 144.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.122 -0.696 . . . . 1.4 109.122 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.0 p -71.19 157.61 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.445 -0.343 . . . . 2.07 111.903 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.98 -52.82 37.1 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.09 113.746 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -94.23 94.84 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.311 0.577 . . . . 2.22 111.365 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' A' ' 89' ' ' LYS . . . -103.72 156.64 17.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.401 -0.818 . . . . 1.13 108.806 168.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.19 142.48 87.29 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.212 -0.662 . . . . 2.07 109.212 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -38.47 -47.18 2.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.325 2.683 . . . . 1.3 113.74 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.48 -30.98 65.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.482 -0.326 . . . . 2.43 111.044 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 2.37 110.002 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 84' ' ' ALA . 30.8 mmtp -63.05 -41.98 99.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 2.81 110.298 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 m -60.15 -48.52 81.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 1.33 110.903 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.07 -41.17 86.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 2.41 111.437 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.39 75.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.78 110.763 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.88 -47.31 85.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 2.44 110.796 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.7 -47.71 80.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 2.85 110.415 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.17 -33.39 74.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.562 -0.744 . . . . 0.63 111.309 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.4 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.64 111.382 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -84.06 -26.68 28.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.62 110.706 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.84 -51.34 27.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.36 -0.382 . . . . 2.66 110.213 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.52 62.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.021 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -58.2 -27.49 63.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 3.77 111.165 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -61.86 -24.53 66.97 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.996 0.427 . . . . 3.24 111.004 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -100.07 22.19 11.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 2.65 110.445 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 65.79 26.84 11.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.572 -0.74 . . . . 2.0 111.115 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.2 t -93.89 134.36 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.493 . . . . 0.99 110.074 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -130.7 112.55 13.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.423 0.63 . . . . 4.06 110.354 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 60' ' ' ILE . 23.2 t -88.44 135.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 1.58 110.127 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -130.98 152.77 49.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.107 -0.331 . . . . 3.0 110.107 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -98.27 122.39 41.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.86 109.897 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.3 t -109.08 118.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.276 -0.42 . . . . 1.51 110.989 -177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.3 p -93.81 -23.35 18.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 1.55 112.26 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -152.07 152.81 30.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.209 -0.307 . . . . 1.52 111.15 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.56 -37.01 90.47 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.918 2.412 . . . . 1.05 113.157 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.471 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 3.3 m-20 -58.44 -46.77 85.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.038 0.446 . . . . 2.48 110.645 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.46 -37.8 87.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 2.7 109.971 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -58.32 -58.76 7.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.7 111.367 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 22.3 pttp -66.01 -22.3 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 2.33 111.508 -176.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -66.93 -54.51 21.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.046 -0.354 . . . . 3.61 110.046 175.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -68.21 -32.51 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 3.39 111.475 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.0 mt -61.99 -42.82 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.786 -0.45 . . . . 0.81 109.786 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -59.13 -42.8 91.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.166 -0.47 . . . . 2.76 110.501 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 117' ' ' ARG . 16.8 mm-40 -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.7 -0.682 . . . . 2.57 111.495 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -84.78 -22.85 29.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.317 . . . . 3.02 111.429 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.3 t -71.95 -62.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.275 -0.421 . . . . 1.4 110.902 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -84.19 -53.12 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.258 -0.428 . . . . 4.14 110.331 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.169 -0.919 . . . . 6.29 111.162 179.21 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.4 ttp . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.849 0.357 . . . . 3.09 110.455 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -105.68 127.88 53.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.375 -0.375 . . . . 3.31 110.123 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.59 122.73 48.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.79 -0.448 . . . . 1.76 109.79 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.64 137.55 57.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.46 111.638 -172.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.729 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 15.4 t -132.03 114.67 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.52 110.169 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 66' ' ' ILE . 1.6 mm? -106.34 112.25 25.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.456 -0.942 . . . . 1.33 108.456 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 79' ' ' LEU . 32.2 pt -111.06 146.64 15.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.083 0.468 . . . . 1.36 110.916 -175.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HB ' HG22 ' A' ' 81' ' ' THR . 99.4 t -88.36 145.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.945 -0.761 . . . . 1.37 108.945 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -58.8 113.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 3.23 112.632 -171.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.638 ' HB3' HD23 ' A' ' 34' ' ' LEU . 12.0 t-20 -112.67 -170.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.719 -1.128 . . . . 4.58 108.264 174.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -45.87 140.47 3.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.111 0.482 . . . . 2.29 111.121 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -57.71 -27.47 62.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.324 -0.853 . . . . 3.77 112.322 -171.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 2.3 mptm? -63.4 -44.94 93.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 3.23 110.431 176.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 30' ' ' ASN . 50.2 tp -63.69 -42.17 98.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.771 -0.649 . . . . 1.39 110.619 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.501 HG23 HG21 ' A' ' 51' ' ' THR . 46.5 mm -51.7 -43.78 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.97 110.595 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -75.15 -49.2 20.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.621 -0.718 . . . . 2.42 111.277 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 20.8 mm-40 -65.72 -41.36 92.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.692 0.256 . . . . 2.53 111.692 -175.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.16 93.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.61 110.695 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 41.3 ttt180 -69.18 -36.35 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 2.73 110.171 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.9 mttt -62.97 -45.38 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 2.52 110.558 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.9 mmt -63.39 -36.9 85.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 2.61 110.053 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.03 94.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 0.75 111.189 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.3 mm-40 -66.33 -33.33 75.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 2.57 111.013 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -72.88 -34.16 66.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.194 -0.457 . . . . 2.98 111.17 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 5.03 44.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.76 111.696 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.97 54.98 5.6 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.347 -0.842 . . . . 2.22 110.583 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.12 141.1 40.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.599 . . . . 1.11 109.965 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.33 98.54 8.21 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.072 -0.714 . . . . 2.13 109.072 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 tt -115.41 120.49 39.75 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.31 -0.556 . . . . 1.49 110.711 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.6 mm -116.9 138.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.343 -0.844 . . . . 1.31 110.277 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.501 HG21 HG23 ' A' ' 35' ' ' ILE . 29.7 p -90.22 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.28 0.562 . . . . 1.2 110.682 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 53' ' ' PRO . 77.3 t -92.22 144.87 29.7 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.562 -0.744 . . . . 1.95 111.108 -177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.3 162.1 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.409 2.739 . . . . 2.29 111.889 167.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.75 12.39 1.05 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.738 -0.664 . . . . 2.14 114.598 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -98.27 117.5 64.76 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 117.212 0.506 . . . . 1.75 109.873 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.39 -33.89 98.23 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.824 2.349 . . . . 1.09 112.02 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.69 -46.23 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 2.7 110.892 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.51 -26.95 62.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 2.3 111.776 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -65.64 -52.46 51.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.5 -0.318 . . . . 0.78 111.718 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.83 -31.51 50.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.79 0.328 . . . . 1.03 110.869 -177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.95 -26.63 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.064 -0.254 . . . . 3.35 111.048 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -36.47 38.75 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.276 -1.009 . . . . 1.22 108.276 177.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -61.65 -44.7 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.041 -0.981 . . . . 0.49 110.686 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -55.56 -41.06 72.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.12 110.709 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.66 -55.3 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.745 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 26' ' ' LEU . 52.5 mt -65.97 -37.13 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 121.005 -0.278 . . . . 0.66 111.008 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.57 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.63 111.152 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' OE1' ' HE2' ' A' ' 69' ' ' LYS . 42.0 tt0 -71.39 -43.33 67.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 2.46 110.734 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 68' ' ' GLU . 75.3 mmtt -91.76 18.72 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 2.41 111.477 -173.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.77 131.21 42.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.31 -0.405 . . . . 0.78 110.943 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.55 108.42 1.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.298 1.999 . . . . 1.34 111.768 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.99 -154.71 23.19 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.899 -0.667 . . . . 0.77 112.106 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.99 130.24 19.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.498 2.132 . . . . 0.9 111.848 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.93 128.3 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.094 0.473 . . . . 1.5 111.018 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HD2' HD21 ' A' ' 103' ' ' ASN . 32.2 mmmt -109.31 113.8 26.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.007 -0.738 . . . . 2.58 109.007 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.7 t -111.89 134.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.34 -0.391 . . . . 1.16 111.263 -175.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 55.7 tp -125.78 130.73 52.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 1.35 110.047 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.432 ' HB ' HG12 ' A' ' 106' ' ' VAL . 59.4 t -113.46 126.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.437 -0.347 . . . . 1.01 110.366 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' CG ' HG22 ' A' ' 27' ' ' ILE . 16.3 mt -104.62 99.18 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.079 -0.341 . . . . 1.37 110.079 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 108' ' ' THR . 27.5 pt -87.02 131.93 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.422 -0.585 . . . . 1.4 109.422 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.479 HG22 ' HB ' ' A' ' 28' ' ' VAL . 12.2 t -132.18 152.56 51.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.982 0.42 . . . . 2.07 111.145 -174.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 -173.14 28.76 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.65 -0.704 . . . . 1.09 112.481 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 m -89.2 99.23 12.27 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.699 -0.482 . . . . 2.22 109.699 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.64 122.35 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.284 -0.416 . . . . 1.13 110.194 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.85 155.23 72.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.621 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -42.88 -45.07 9.09 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.824 2.349 . . . . 1.3 112.533 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 8.2 m-20 -53.9 -51.9 62.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.853 -0.612 . . . . 2.43 110.701 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.74 -30.33 66.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.579 -0.737 . . . . 2.37 111.171 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -59.23 -43.28 92.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 2.81 109.906 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.5 m -67.18 -41.07 86.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.446 -0.797 . . . . 1.33 110.461 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 29.4 mmtp -65.57 -43.46 89.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.732 -0.667 . . . . 2.41 111.609 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.621 0.248 . . . . 0.78 110.8 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -69.21 -32.15 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.059 0.457 . . . . 2.44 110.56 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -76.52 -46.23 27.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 2.85 110.4 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.44 95.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.63 110.964 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.29 70.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.381 . . . . 0.64 111.07 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.47 -47.49 72.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 2.62 110.239 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.56 -41.65 65.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.843 -0.617 . . . . 2.66 110.344 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -64.63 -24.33 67.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.844 -0.616 . . . . 0.58 111.44 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.8 -30.11 69.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 3.77 110.339 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.45 -6.77 59.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 3.24 110.509 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.84 7.95 37.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.925 -0.579 . . . . 2.65 109.711 175.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.433 HD21 ' HD2' ' A' ' 75' ' ' LYS . 56.9 t30 67.37 38.96 3.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.936 0.874 . . . . 2.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.597 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 46.2 t -109.6 137.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.139 -0.937 . . . . 0.99 110.141 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -120.98 149.8 42.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.642 0.258 . . . . 4.06 110.382 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 78' ' ' VAL . 33.8 m -122.66 141.71 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 1.58 111.145 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -140.97 147.33 38.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.369 -0.378 . . . . 3.0 110.229 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 12.0 m -97.42 130.07 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.234 0.54 . . . . 0.86 111.285 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 115' ' ' ALA . 91.2 t -105.47 125.74 60.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.444 -0.798 . . . . 1.51 109.987 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 1.55 110.54 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -148.66 147.15 23.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 1.52 110.006 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' HD22 ' A' ' 34' ' ' LEU . 66.4 Cg_exo -40.0 -50.92 3.27 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.834 3.023 . . . . 1.05 114.252 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -60.45 -30.73 69.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.322 . . . . 2.48 111.692 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.51 -38.92 88.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.062 0.458 . . . . 2.7 109.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -67.71 -48.93 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.7 111.43 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.63 -31.61 71.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 2.33 110.529 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.0 -49.19 78.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 3.61 109.985 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.87 -32.3 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 3.39 111.119 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 mm -60.63 -50.55 79.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.128 0.49 . . . . 0.81 109.948 175.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.49 -41.22 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.614 -0.721 . . . . 2.76 110.416 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.426 -0.806 . . . . 2.57 110.973 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -86.23 -36.66 19.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 3.02 111.42 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.7 t -64.06 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.393 -0.367 . . . . 1.4 111.501 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.61 170.28 9.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.225 0.536 . . . . 4.14 111.988 -172.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.276 -0.875 . . . . 6.29 110.18 -178.215 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.839 -0.43 . . . . 3.09 109.839 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -118.76 137.0 53.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 3.31 111.245 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 6.6 mp -114.73 124.14 51.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 1.76 109.737 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -113.34 128.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 0.46 111.18 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 19.8 t -112.7 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.602 -0.518 . . . . 0.52 109.602 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 50' ' ' ILE . 80.0 mt -110.77 112.11 23.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.973 0.416 . . . . 1.33 109.949 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.86 130.86 53.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.205 -173.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.9 95.84 4.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.278 -0.419 . . . . 1.37 110.943 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.413 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 8.2 t -175.26 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.091 -0.707 . . . . 3.23 109.091 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -140.95 83.58 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.367 0.603 . . . . 4.58 109.731 167.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 36.7 t70 -125.73 171.27 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.124 -0.944 . . . . 2.29 108.886 173.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 50.5 mtpt -88.31 -69.37 0.7 Allowed 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.165 -0.614 . . . . 3.77 110.814 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 22.3 pttm -59.13 -39.77 83.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 3.23 111.964 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.4 tm? -59.16 -44.77 92.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.172 0.51 . . . . 1.39 109.992 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.09 -46.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.579 -0.737 . . . . 0.97 111.454 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 22.5 mm-40 -52.67 -57.13 11.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.778 0.323 . . . . 2.42 111.584 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.9 mm-40 -61.72 -48.06 82.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.429 . . . . 2.53 111.081 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.86 98.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.388 . . . . 0.61 111.06 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.833 -0.621 . . . . 2.73 110.427 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.63 -44.81 95.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.742 -0.663 . . . . 2.52 111.31 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 25.2 mmt -62.57 -38.7 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 2.61 110.74 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.57 -51.65 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.75 110.99 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.58 -39.21 87.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.454 . . . . 2.57 110.543 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -60.83 -36.92 80.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.661 -0.699 . . . . 2.98 110.935 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.64 17.58 21.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 0.76 111.422 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 65.81 43.96 2.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.847 -0.615 . . . . 2.22 112.241 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.0 mm? -103.3 142.55 34.0 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.919 -0.4 . . . . 1.11 109.919 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.31 97.82 8.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.263 -0.643 . . . . 2.13 109.263 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.5 tt -109.19 127.09 53.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 1.49 110.406 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 26' ' ' LEU . 27.8 mt -122.62 133.11 69.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.545 -0.752 . . . . 1.31 109.822 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -81.19 115.8 20.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.2 110.18 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 53' ' ' PRO . 74.2 t -94.27 147.24 33.0 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.018 -0.537 . . . . 1.95 110.532 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.2 161.24 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.117 2.545 . . . . 2.29 111.476 165.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.33 12.79 1.7 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 114.701 0.64 . . . . 2.14 114.701 -169.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 p -110.43 134.2 20.9 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 117.451 0.626 . . . . 1.75 110.852 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.49 -25.79 20.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 123.19 2.593 . . . . 1.09 113.692 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.16 -44.06 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 2.7 110.764 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.901 -0.591 . . . . 2.3 111.149 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -62.39 -53.2 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.78 111.381 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 41.8 mt -68.74 -31.89 52.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.905 -0.589 . . . . 1.03 111.18 -174.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -72.69 -29.98 63.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.778 -0.369 . . . . 3.35 110.371 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.3 tp -72.29 -32.18 66.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.298 -0.63 . . . . 1.22 109.298 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -59.38 -41.26 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.383 174.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.79 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 2.12 110.818 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.38 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.851 -0.613 . . . . 2.21 109.873 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.68 -41.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.66 111.758 -175.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.42 -27.69 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 0.63 111.683 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.82 -22.83 36.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.471 0.653 . . . . 2.46 110.043 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -101.96 10.26 39.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.567 -0.742 . . . . 2.41 110.865 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.01 136.8 19.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 0.78 110.881 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -86.28 108.68 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.392 2.061 . . . . 1.34 112.426 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.3 -163.03 14.25 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.787 -0.72 . . . . 0.77 112.529 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.65 133.48 39.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.001 2.467 . . . . 0.9 111.759 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.51 141.57 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.276 -0.42 . . . . 1.5 110.926 -176.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.69 128.51 49.74 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.25 -1.019 . . . . 2.58 108.25 169.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 104' ' ' VAL . 32.9 t -124.11 128.88 74.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.819 0.342 . . . . 1.16 110.552 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.1 tp -120.12 120.67 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 1.35 110.299 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.29 117.64 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.851 -0.613 . . . . 1.01 110.223 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.5 99.63 10.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 1.37 110.511 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.84 110.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.893 -0.594 . . . . 1.4 109.497 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 7.8 m -88.61 124.72 34.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.824 0.345 . . . . 2.07 110.473 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.65 160.99 34.4 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.458 -0.657 . . . . 1.09 111.458 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 p -70.56 122.75 20.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.946 0.403 . . . . 2.22 110.3 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.58 123.12 26.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.13 110.675 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.89 141.28 95.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.302 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -39.68 -49.83 3.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.864 3.042 . . . . 1.3 114.141 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 2.0 p-10 -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.532 0.206 . . . . 2.43 111.127 -176.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.96 -35.26 59.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 2.37 110.675 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 89' ' ' LYS . 3.3 tmmm? -65.78 -36.81 84.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.827 -0.624 . . . . 2.81 109.625 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.4 m -66.5 -43.01 86.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 1.33 110.953 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 43.1 mtmt -64.13 -38.5 91.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.129 0.49 . . . . 2.41 110.082 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.56 77.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.731 -0.668 . . . . 0.78 109.953 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -60.7 -44.94 95.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.751 -0.659 . . . . 2.44 110.179 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -61.12 -50.58 72.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.657 -0.701 . . . . 2.85 111.113 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.55 96.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 111.308 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.93 86.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.495 -0.321 . . . . 0.64 111.425 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.8 -37.05 86.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.586 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -78.12 -20.41 52.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 2.66 110.507 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.11 31.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.58 111.677 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.23 -25.89 62.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 3.77 111.624 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -61.88 -25.12 67.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 3.24 111.71 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -113.79 31.14 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 2.65 111.11 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 59.79 40.95 18.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.671 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 76' ' ' VAL . 46.1 t -96.38 114.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.973 -0.38 . . . . 0.99 109.973 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 3.7 mpt_? -111.83 145.27 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.194 -0.457 . . . . 4.06 110.472 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.44 134.98 54.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.276 -0.42 . . . . 1.58 110.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.33 152.72 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.315 -0.402 . . . . 3.0 110.009 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 m -113.96 128.73 56.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.022 0.439 . . . . 0.86 110.829 -175.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.62 144.83 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 1.51 110.177 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 p -112.0 -13.88 13.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.338 0.59 . . . . 1.55 110.706 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 47.8 m -150.09 159.17 35.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.412 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.58 -23.05 54.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.999 2.466 . . . . 1.05 113.279 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.6 -51.67 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.682 -0.235 . . . . 2.48 111.515 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 1.8 mp0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.758 0.313 . . . . 2.7 110.295 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.11 -46.48 82.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.83 -0.623 . . . . 0.7 110.791 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 2.33 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -70.21 -46.2 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 3.61 110.923 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -63.39 -39.76 95.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 3.39 111.011 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.28 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.656 0.265 . . . . 0.81 110.435 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 2.76 110.87 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.73 -40.74 92.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.199 0.523 . . . . 2.57 109.981 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 71.9 t80 -63.92 -47.78 79.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.08 -0.963 . . . . 3.02 111.352 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 p -64.65 -31.2 72.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.238 -0.437 . . . . 1.4 111.247 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 59.65 83.81 0.13 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.747 0.785 . . . . 4.14 109.39 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--O 1.251 1.176 0 CA-C-N 115.176 -0.92 . . . . 6.29 110.3 -175.31 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 73' ' ' PRO . 25.8 ttt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.958 -0.386 . . . . 3.09 109.958 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -101.46 112.88 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 3.31 111.2 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.22 103.62 13.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.505 -0.554 . . . . 1.76 109.505 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 25.6 t -115.79 149.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.9 -171.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.19 116.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.649 -0.25 . . . . 0.52 110.498 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 66' ' ' ILE . 5.9 mp -106.38 119.95 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.923 -0.769 . . . . 1.33 108.923 171.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.448 HG12 ' OG ' ' A' ' 29' ' ' SER . 13.4 tt -113.86 122.62 68.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.296 0.57 . . . . 1.36 111.345 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.21 99.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.536 -1.283 . . . . 1.37 107.536 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.465 ' CB ' HG12 ' A' ' 35' ' ' ILE . 3.0 m -105.66 142.35 35.55 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.377 0.88 . . . . 3.23 113.377 -163.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -79.17 -169.74 1.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.316 -1.311 . . . . 4.58 108.746 165.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -23.12 134.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.619 0.97 . . . . 2.29 113.619 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 57.2 mtpt -58.9 -17.96 28.97 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.283 1.216 . . . . 3.77 114.283 -166.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.69 -36.21 76.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.889 0.313 . . . . 3.23 110.698 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 27' ' ' ILE . 1.8 tt -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.418 -0.356 . . . . 1.39 110.262 176.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 29' ' ' SER . 43.8 mt -56.55 -44.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.7 . . . . 0.97 110.489 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 38.6 mt-10 -55.31 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 2.42 111.425 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.42 -32.29 73.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.551 -0.295 . . . . 2.53 111.756 -175.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.99 65.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.383 . . . . 0.61 110.998 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -66.98 -35.37 79.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 2.73 110.922 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.0 mttt -59.85 -37.91 80.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 2.52 110.754 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.99 -35.14 64.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 2.61 110.837 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.79 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.336 0.589 . . . . 0.75 110.247 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.31 -38.23 90.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 2.57 109.936 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -71.4 -22.96 61.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 2.98 110.488 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.17 8.7 42.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.853 -0.612 . . . . 0.76 111.323 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 59.22 38.92 23.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.518 0.675 . . . . 2.22 110.764 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.9 mt -102.48 168.03 9.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.782 -0.645 . . . . 1.11 110.351 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -109.0 101.33 10.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.069 -0.715 . . . . 2.13 109.069 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -104.93 128.49 53.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.383 0.611 . . . . 1.49 110.725 -176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.1 mt -117.14 130.0 72.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.11 -0.95 . . . . 1.31 110.074 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.8 p -101.96 99.09 9.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.163 -0.472 . . . . 1.2 111.377 -177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.69 82.16 45.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 1.95 110.326 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HB3' ' H ' ' A' ' 29' ' ' SER . 92.1 Cg_endo -90.79 102.41 0.27 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 122.136 1.89 . . . . 2.29 113.602 170.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.95 -51.89 0.14 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.161 -1.495 . . . . 2.14 111.196 158.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -119.77 163.1 29.47 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.136 -0.532 . . . . 1.75 109.577 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.92 -47.81 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 121.382 1.388 . . . . 1.09 110.706 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.01 -36.27 74.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.322 -0.854 . . . . 2.7 111.201 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.52 -56.88 15.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.3 111.576 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -59.65 -39.09 83.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.78 111.381 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.8 -35.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 1.03 110.955 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -61.41 -48.55 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 3.35 110.797 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 66' ' ' ILE . 43.0 tp -66.92 -33.17 75.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.937 -0.394 . . . . 1.22 109.937 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.04 90.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.49 110.412 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.29 -42.41 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.725 -0.67 . . . . 2.12 110.478 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.702 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.2 mt-10 -60.55 -48.22 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 2.21 111.105 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 26' ' ' LEU . 67.5 mt -60.62 -35.65 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.928 -0.309 . . . . 0.66 110.827 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -74.39 -39.95 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.63 111.164 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.84 -35.25 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 2.46 110.666 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 77.1 mttt -90.5 0.67 57.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 2.41 111.064 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.76 120.57 67.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.78 110.82 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.6 108.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.232 1.955 . . . . 1.34 112.086 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.55 15.9 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.738 -0.744 . . . . 0.77 112.668 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' MET . 21.7 Cg_exo -65.78 119.94 7.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.079 2.519 . . . . 0.9 112.86 -178.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 67' ' ' ALA . 7.1 p -140.66 139.82 34.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 1.5 110.256 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -146.34 109.51 4.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 2.58 109.811 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 3.5 p -117.77 131.83 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.323 0.583 . . . . 1.16 111.266 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -109.57 130.33 55.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.784 . . . . 1.35 110.008 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 43.4 t -107.16 129.17 61.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.675 -0.491 . . . . 1.01 109.675 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.03 128.29 54.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.409 -0.36 . . . . 1.37 111.069 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.8 mt -105.96 110.35 31.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.85 -0.796 . . . . 1.4 108.85 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 44.7 p -84.36 129.4 34.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.237 0.541 . . . . 2.07 111.578 -175.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.25 -148.65 18.79 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.585 -0.734 . . . . 1.09 111.766 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.879 -0.415 . . . . 2.22 109.879 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.37 111.92 17.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.75 0.309 . . . . 1.13 111.002 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 26.8 t70 -58.06 145.51 72.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.869 -0.605 . . . . 2.07 109.763 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 85' ' ' ASP . 20.9 Cg_exo -32.44 -47.72 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 124.428 3.419 . . . . 1.3 115.209 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.18 -48.63 72.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 2.43 111.32 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -36.13 80.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 2.37 110.379 175.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.8 -35.39 79.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 2.81 110.452 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.9 m -59.16 -48.94 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.33 110.567 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -24.03 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 2.41 111.31 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.33 79.87 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.482 -0.562 . . . . 0.78 109.482 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -79.8 -53.34 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.43 -0.805 . . . . 2.44 110.917 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.5 -52.46 63.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 2.85 111.47 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.31 71.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.508 -0.314 . . . . 0.63 111.331 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.04 -50.52 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.619 0.247 . . . . 0.64 111.282 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 37.5 mt-10 -68.47 -19.7 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 2.62 111.247 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.78 -50.61 8.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.198 0.523 . . . . 2.66 110.31 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.2 -13.69 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.016 -0.538 . . . . 0.58 112.216 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 12.7 ptm180 -59.35 -20.53 55.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.703 0.287 . . . . 3.77 111.502 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.98 -24.4 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.492 . . . . 3.24 110.51 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -101.48 18.98 18.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.779 -0.646 . . . . 2.65 109.796 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.67 29.38 8.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.933 -1.031 . . . . 2.0 110.685 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.472 HG22 ' CG1' ' A' ' 76' ' ' VAL . 61.8 t -86.28 134.61 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.583 -0.735 . . . . 0.99 109.249 174.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -135.24 136.7 41.92 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.802 0.334 . . . . 4.06 110.782 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 78' ' ' VAL . 34.2 t -118.81 126.04 74.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.135 -0.484 . . . . 1.58 110.483 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -127.22 137.39 52.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.268 -0.424 . . . . 3.0 110.568 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.7 m -94.07 116.93 29.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.86 110.306 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' THR . 7.0 m -111.45 109.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.506 0.67 . . . . 1.51 110.599 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -78.45 -14.81 59.2 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.543 -0.753 . . . . 1.55 111.032 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.9 p -136.95 156.54 75.78 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.249 -0.432 . . . . 1.52 110.689 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.67 -34.65 83.51 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.673 2.248 . . . . 1.05 112.158 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.1 -41.92 99.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 2.48 111.002 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 62.6 mm-40 -65.33 -38.36 89.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.44 -0.346 . . . . 2.7 110.765 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -58.39 -51.9 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.7 110.432 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 2.33 110.538 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 40.7 ttt180 -57.84 -56.82 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.442 -0.799 . . . . 3.61 110.87 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.456 ' O ' ' HD2' ' A' ' 122' ' ' PHE . 28.3 m95 -66.45 -36.35 82.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 3.39 111.073 -175.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.4 mt -56.17 -38.68 55.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.81 110.44 176.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.62 -44.55 42.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 2.76 110.632 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.65 -41.57 97.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.57 111.596 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.456 ' HD2' ' O ' ' A' ' 118' ' ' TRP . 70.0 m-85 -82.46 -16.26 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 3.02 112.397 -176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 p -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 1.4 110.518 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.11 -37.72 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.14 110.056 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.269 -0.872 . . . . 6.29 111.157 174.421 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.813 0.339 . . . . 3.09 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -94.97 126.53 40.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.536 -0.302 . . . . 3.31 110.658 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 47' ' ' LEU . 84.6 mt -110.46 105.7 14.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.897 -0.592 . . . . 1.76 109.681 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 24.1 t -115.18 144.29 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.968 -176.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.97 118.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.603 0.24 . . . . 0.52 110.412 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 5.1 mp -106.33 121.05 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.405 -0.591 . . . . 1.33 109.405 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 79' ' ' LEU . 2.4 tp -106.29 121.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.143 0.497 . . . . 1.36 111.077 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -99.86 95.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.788 -0.642 . . . . 1.37 109.501 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -173.9 151.57 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 3.23 109.485 175.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -113.06 83.13 1.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.23 -0.656 . . . . 4.58 109.23 170.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.49 159.22 32.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.023 -0.99 . . . . 2.29 108.911 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -91.16 -64.73 1.09 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.327 -0.549 . . . . 3.77 110.224 174.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.31 -36.0 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.947 -0.57 . . . . 3.23 111.839 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.95 -50.13 57.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.76 -40.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.97 111.286 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 55.2 mt-10 -56.21 -54.56 43.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 2.42 110.993 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 41' ' ' MET . 24.1 tt0 -67.37 -42.0 84.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 2.53 111.228 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.068 0.461 . . . . 0.61 110.584 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 65.8 ttt180 -67.28 -42.17 84.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.788 -0.642 . . . . 2.73 110.589 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.0 mtpp -64.56 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 2.52 110.782 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.565 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 84.8 mtp -58.76 -49.96 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 2.61 110.387 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -61.42 -37.89 85.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.75 110.655 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.37 -43.71 93.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.167 -0.47 . . . . 2.57 110.941 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.95 -46.01 72.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 2.98 111.25 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.85 -0.83 52.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.176 -0.465 . . . . 0.76 111.675 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.27 35.99 12.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.803 -0.635 . . . . 2.22 111.37 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.5 mt -93.33 164.6 13.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.183 -0.673 . . . . 1.11 109.183 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.55 99.99 11.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 2.13 110.538 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.4 tm? -90.74 121.66 32.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.715 -0.675 . . . . 1.49 109.302 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.502 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 44.1 mm -120.72 117.77 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.13 -0.486 . . . . 1.31 110.323 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -95.46 98.98 10.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.224 -0.443 . . . . 1.2 111.39 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.52 81.47 35.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 1.95 110.404 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -90.43 102.27 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.226 1.951 . . . . 2.29 113.307 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.19 -51.27 0.15 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.295 -1.431 . . . . 2.14 111.156 161.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 10.7 m -119.82 160.27 43.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 108.964 -0.754 . . . . 1.75 108.964 166.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -63.28 -43.96 16.61 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.415 1.41 . . . . 1.09 111.109 170.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.04 -18.42 60.84 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.706 -0.679 . . . . 2.7 111.272 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 39.3 tt0 -61.7 -52.56 63.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 2.3 110.284 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.31 72.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 0.78 110.793 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB1' ' A' ' 95' ' ' ALA . 29.4 mm -61.95 -46.15 97.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.078 0.466 . . . . 1.03 110.257 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -66.94 -39.68 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 3.35 111.059 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.51 -32.29 71.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.789 0.328 . . . . 1.22 110.311 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.49 110.065 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 60' ' ' ILE . 27.2 mt-30 -59.49 -41.67 90.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.624 -0.716 . . . . 2.12 110.124 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 49.9 mm-40 -58.76 -55.77 30.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.627 -0.715 . . . . 2.21 110.838 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.02 -40.4 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.66 110.925 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.67 94.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.219 0.452 . . . . 0.63 112.219 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 8.1 pt-20 -81.98 -27.5 33.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.759 -0.376 . . . . 2.46 111.473 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.0 mmtp -86.08 -24.95 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.136 -0.226 . . . . 2.41 111.6 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 74' ' ' VAL . . . -74.83 122.63 87.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.766 -0.197 . . . . 0.78 110.983 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.71 108.27 1.42 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.523 2.149 . . . . 1.34 112.022 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.71 -179.0 16.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.854 -0.612 . . . . 0.77 112.044 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.44 124.71 13.74 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.914 2.409 . . . . 0.9 111.79 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 70' ' ' ALA . 19.8 t -118.19 132.88 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 1.5 110.608 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -125.83 103.09 7.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.057 -0.72 . . . . 2.58 109.057 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' A' ' 104' ' ' VAL . 2.9 p -108.84 129.4 63.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.559 0.695 . . . . 1.16 111.174 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -102.63 125.53 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.171 -0.922 . . . . 1.35 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 60' ' ' ILE . 62.4 t -100.9 115.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.493 0.663 . . . . 1.01 109.698 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 27' ' ' ILE . 12.0 tp -101.93 117.52 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.985 -1.007 . . . . 1.37 109.595 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt -116.2 110.61 32.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 1.4 110.265 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.3 m -107.43 131.14 54.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.432 -0.349 . . . . 2.07 111.235 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.09 -177.92 16.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.831 -0.7 . . . . 1.09 113.053 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -81.44 99.87 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 2.22 109.912 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 130.6 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.986 -0.552 . . . . 1.13 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -75.59 160.03 80.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 2.07 109.964 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -45.68 -49.92 10.14 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.012 2.475 . . . . 1.3 113.237 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.09 -35.87 76.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 2.43 110.804 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -61.74 -40.67 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 2.37 110.43 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 2.81 110.481 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -62.85 -45.01 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.873 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -60.92 -46.04 92.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 2.41 110.933 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.07 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.78 110.476 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -59.79 -47.9 83.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.032 -0.531 . . . . 2.44 110.682 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 24.8 ttpp -65.31 -55.45 18.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 2.85 110.639 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.656 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.694 -0.685 . . . . 0.63 111.946 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -57.32 -51.35 69.73 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.64 111.049 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.16 -41.37 94.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.994 0.426 . . . . 2.62 110.61 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 41.1 mt-10 -62.83 -41.02 99.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 2.66 110.978 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.98 34.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.512 . . . . 0.58 111.871 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 68.2 ttt180 -63.5 -11.68 25.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.404 . . . . 3.77 111.15 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -66.55 -21.4 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.203 0.525 . . . . 3.24 110.017 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -106.31 22.34 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.544 -0.753 . . . . 2.65 110.11 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 62.4 29.2 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.738 -0.664 . . . . 2.0 111.762 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.496 HG22 ' CG1' ' A' ' 76' ' ' VAL . 62.8 t -78.91 108.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.432 -0.581 . . . . 0.99 109.432 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -111.95 134.2 53.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.009 -0.541 . . . . 4.06 110.246 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.49 138.43 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.978 0.418 . . . . 1.58 111.134 -177.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.55 ' HA ' ' HE ' ' A' ' 107' ' ' ARG . 3.5 mmp_? -138.33 122.74 18.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.096 -0.502 . . . . 3.0 110.406 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.1 m -86.54 138.81 31.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 0.86 110.234 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.2 t -118.4 126.09 74.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.882 -0.599 . . . . 1.51 110.569 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -114.29 -27.24 7.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 1.55 110.587 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.3 t -128.26 140.2 37.65 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.191 -0.67 . . . . 1.52 109.191 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -54.97 -25.09 42.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.701 2.934 . . . . 1.05 114.244 -172.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.08 -26.24 62.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.614 0.245 . . . . 2.48 110.868 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.62 -44.68 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.459 -0.337 . . . . 2.7 110.562 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.439 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -57.14 -49.69 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.7 110.652 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 31.3 ttpt -63.91 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.239 -0.891 . . . . 2.33 110.649 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.0 ttm105 -74.03 -48.43 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.752 -0.658 . . . . 3.61 110.996 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.424 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 7.6 m95 -56.96 -51.16 70.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.47 -0.332 . . . . 3.39 111.077 -177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.8 mt -55.21 -47.41 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.81 111.065 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.19 -43.02 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.447 -0.342 . . . . 2.76 111.281 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.11 -38.62 85.95 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.539 -0.3 . . . . 2.57 111.312 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 47.9 m-85 -77.65 -28.23 51.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.237 -0.185 . . . . 3.02 111.374 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m -69.82 -48.05 60.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.479 -0.563 . . . . 1.4 109.479 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.06 79.17 0.26 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.388 0.613 . . . . 4.14 111.245 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.458 -0.792 . . . . 6.29 109.761 178.442 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 ttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.075 -0.343 . . . . 3.09 110.075 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 27.8 mmt180 -116.72 88.82 2.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.377 0.608 . . . . 3.31 110.634 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -113.24 113.89 25.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.954 -0.758 . . . . 1.76 108.954 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 66' ' ' ILE . 46.4 t -118.36 145.87 23.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.798 -0.637 . . . . 0.46 111.456 -168.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.37 122.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.271 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.04 110.96 23.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.889 -0.596 . . . . 1.33 109.705 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 tp -114.95 136.44 51.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.142 0.496 . . . . 1.36 110.403 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' HB ' ' HA2' ' A' ' 54' ' ' GLY . 32.7 m -88.57 152.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 1.37 109.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 m -69.64 146.49 51.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.956 0.725 . . . . 3.23 112.956 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.549 ' HB3' HG21 ' A' ' 81' ' ' THR . 5.2 p-10 -175.27 -170.94 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.383 -1.28 . . . . 4.58 107.617 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 33' ' ' LYS . 25.4 t70 -35.02 118.08 0.42 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.564 0.54 . . . . 2.29 111.016 174.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.27 -24.16 66.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.506 -0.77 . . . . 3.77 112.475 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 8.0 ttpm? -56.94 -48.14 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 3.23 110.326 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 30' ' ' ASN . 8.8 tt -63.24 -43.13 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.39 110.424 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.4 mt -55.42 -46.39 78.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.154 -0.476 . . . . 0.97 110.122 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.9 mt-10 -65.62 -50.58 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 2.42 111.603 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 21.5 mm-40 -63.17 -39.79 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.773 0.321 . . . . 2.53 111.145 -175.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.02 96.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.079 0.466 . . . . 0.61 110.263 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 78.7 ttt180 -64.79 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.756 -0.656 . . . . 2.73 111.077 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.6 mttp -57.7 -48.04 80.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 2.52 111.091 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -72.72 -29.78 63.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.478 -0.328 . . . . 2.61 111.15 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.2 58.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.338 -0.392 . . . . 0.75 110.306 176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.7 -27.98 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.107 -0.497 . . . . 2.57 110.25 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.97 -26.38 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.625 -0.716 . . . . 2.98 111.043 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.7 16.49 18.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.123 0.487 . . . . 0.76 110.818 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.83 49.93 13.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.086 -0.961 . . . . 2.22 111.131 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -98.71 149.47 22.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.453 -0.573 . . . . 1.11 109.453 175.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -81.3 98.82 8.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 2.13 109.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 1.6 tm? -89.16 120.56 30.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.752 -0.462 . . . . 1.49 109.752 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.52 122.81 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.137 -0.483 . . . . 1.31 110.223 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 m -98.42 128.66 44.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 1.2 110.322 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' PRO . 14.1 m -116.79 173.08 3.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.302 -0.408 . . . . 1.95 109.975 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.689 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.2 Cg_endo -47.21 159.69 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.747 2.298 . . . . 2.29 111.891 165.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -71.96 6.85 8.6 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 115.896 -0.593 . . . . 2.14 114.37 -171.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -96.36 138.49 21.52 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.372 0.586 . . . . 1.75 111.153 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -70.5 -22.84 28.14 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.166 2.577 . . . . 1.09 112.91 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.5 -50.78 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 2.7 110.65 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.53 -34.61 77.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.906 -0.588 . . . . 2.3 111.291 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.67 -54.67 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 0.78 111.178 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.74 -36.81 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.432 -0.349 . . . . 1.03 111.201 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -63.74 -31.33 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.956 -0.297 . . . . 3.35 110.847 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 66' ' ' ILE . 30.0 tp -76.85 -33.45 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.738 -0.467 . . . . 1.22 109.738 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -65.48 -29.43 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.49 110.892 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -42.78 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 2.12 109.801 172.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.38 -38.21 87.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.629 -0.714 . . . . 2.21 109.739 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 62' ' ' LEU . 50.2 mm -53.98 -58.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.7 176.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.49 70.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.63 111.174 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.34 -32.39 70.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 2.46 110.552 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -110.04 21.19 17.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.709 -0.678 . . . . 2.41 110.614 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -100.26 112.89 65.01 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.216 -0.447 . . . . 0.78 111.795 -176.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 8.8 Cg_exo -76.16 109.0 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.885 2.39 . . . . 1.34 111.782 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 -154.84 21.42 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.572 -0.74 . . . . 0.77 112.83 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.32 119.78 6.82 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.093 2.529 . . . . 0.9 111.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 7.7 p -131.49 138.04 53.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 1.5 111.347 -177.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -133.03 137.79 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.655 -0.869 . . . . 2.58 108.655 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.9 t -121.92 125.39 73.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.041 0.448 . . . . 1.16 111.059 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 ' HD2' ' A' ' 107' ' ' ARG . 66.9 tp -101.14 121.64 42.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.071 -0.513 . . . . 1.35 109.902 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.405 ' HB ' HG12 ' A' ' 106' ' ' VAL . 58.6 t -103.43 118.0 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.876 0.37 . . . . 1.01 110.619 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -98.8 114.24 26.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.208 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' THR . 11.3 pt -112.89 127.0 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.756 -0.461 . . . . 1.4 109.756 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 30' ' ' ASN . 15.1 t -101.79 143.28 31.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 2.07 111.577 -172.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.58 -166.82 54.33 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.821 -0.627 . . . . 1.09 112.063 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -102.68 110.33 22.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.848 0.356 . . . . 2.22 110.195 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 136.68 54.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.695 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.59 144.53 88.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.823 -0.626 . . . . 2.07 110.132 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -37.47 -48.93 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.595 3.53 . . . . 1.3 114.841 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.66 -50.73 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.835 0.35 . . . . 2.43 111.175 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.48 -31.13 69.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 2.37 110.497 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.32 -45.45 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.737 -0.665 . . . . 2.81 109.83 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.0 m -71.37 -40.88 70.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.76 -0.655 . . . . 1.33 110.949 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.9 -47.78 79.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.804 -0.635 . . . . 2.41 110.67 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.7 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.78 110.677 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.44 -51.1 71.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.44 110.718 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -61.99 -42.16 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 2.85 110.61 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.57 68.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.802 -0.635 . . . . 0.63 110.976 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.92 78.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.64 112.102 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.56 -38.76 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.762 -0.375 . . . . 2.62 110.818 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.38 -40.56 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.087 0.47 . . . . 2.66 110.317 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -70.49 -15.83 62.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.876 -0.602 . . . . 0.58 111.661 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -62.67 -17.29 60.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 3.77 111.08 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.36 -36.31 75.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 3.24 110.418 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -100.44 18.16 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.574 . . . . 2.65 109.724 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER 65.4 28.81 11.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.949 -1.023 . . . . 2.0 111.727 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.516 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 41.0 t -79.59 99.57 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 173.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -116.02 139.54 50.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 4.06 111.133 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' HB ' ' A' ' 78' ' ' VAL . 27.0 m -96.53 144.58 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.001 -0.545 . . . . 1.58 111.029 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HD3' ' CD2' ' A' ' 118' ' ' TRP . 98.8 mtt180 -139.14 134.83 33.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.911 -0.586 . . . . 3.0 109.716 175.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 28.0 m -89.33 125.17 35.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.973 0.416 . . . . 0.86 110.893 -177.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.5 m -118.69 131.32 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.012 -0.54 . . . . 1.51 110.721 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.1 p -113.97 -18.21 11.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.419 . . . . 1.55 111.026 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 p -135.6 152.82 76.94 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 116.096 -0.502 . . . . 1.52 110.513 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.12 -41.92 55.41 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.732 2.288 . . . . 1.05 112.912 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.51 -44.63 69.26 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.066 -0.515 . . . . 2.48 111.805 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 2.7 110.794 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.63 84.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.7 110.654 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.8 -44.69 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 2.33 110.462 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -61.48 -49.77 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.601 -0.727 . . . . 3.61 111.081 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.499 ' CD2' ' HD3' ' A' ' 107' ' ' ARG . 9.9 m95 -65.09 -42.09 94.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 3.39 111.624 -177.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.1 mt -65.83 -42.68 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.667 0.27 . . . . 0.81 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.59 -29.41 67.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.793 0.33 . . . . 2.76 110.236 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -67.78 -43.51 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.22 -0.659 . . . . 2.57 109.22 174.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.85 -23.38 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.029 -0.987 . . . . 3.02 110.406 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.1 m -76.97 -8.08 56.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.445 -0.798 . . . . 1.4 110.999 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -109.27 129.16 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.842 0.353 . . . . 4.14 110.755 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.667 -0.682 . . . . 6.29 110.188 -179.424 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 42.0 ttp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.839 0.352 . . . . 3.09 110.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.46 HH21 ' CD ' ' A' ' 48' ' ' GLU . 39.0 ttt85 -91.41 114.71 27.31 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.927 -0.397 . . . . 3.31 109.927 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.9 mm? -94.46 118.13 31.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.487 -0.561 . . . . 1.76 109.487 176.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 76' ' ' VAL . 41.6 t -115.02 135.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.46 109.719 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.51 124.61 71.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.904 0.383 . . . . 0.52 110.941 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.6 mm? -111.53 121.44 45.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.973 -0.558 . . . . 1.33 110.001 176.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.0 mm -113.14 121.04 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.301 -0.259 . . . . 1.36 110.301 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 80' ' ' ILE . 6.3 m -102.08 94.61 3.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.688 0.756 . . . . 1.37 110.655 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -174.76 145.5 0.88 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.224 -0.898 . . . . 3.23 109.416 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -111.06 81.62 1.46 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.712 -0.848 . . . . 4.58 108.712 166.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 30.9 t70 -125.8 131.78 52.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.364 -0.835 . . . . 2.29 109.532 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -64.92 -33.93 77.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.438 -0.347 . . . . 3.77 111.608 -176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -80.54 -56.74 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.829 -0.348 . . . . 3.23 110.898 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 38.0 tp -53.68 -50.32 66.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 1.39 111.341 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.661 HG23 HG21 ' A' ' 51' ' ' THR . 57.0 mt -60.49 -51.59 71.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.407 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 26.4 mm-40 -67.35 -42.21 83.87 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.657 -0.417 . . . . 2.42 111.801 -176.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' MET . 27.6 tt0 -66.93 -43.98 81.87 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.848 -0.341 . . . . 2.53 110.581 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.18 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.143 0.496 . . . . 0.61 109.867 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -58.81 -47.3 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.384 -0.826 . . . . 2.73 110.631 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.5 mmtp -60.42 -39.83 88.84 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.229 -0.441 . . . . 2.52 111.051 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 33.6 mmt -66.95 -51.4 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 2.61 110.609 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.8 98.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.75 111.202 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.93 -43.18 96.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 2.57 110.715 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.47 -32.4 74.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 2.98 111.071 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.31 0.41 56.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.398 -0.365 . . . . 0.76 111.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.12 40.86 21.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.449 -0.796 . . . . 2.22 111.29 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 23' ' ' LEU . 51.7 mt -99.12 175.18 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.748 -0.66 . . . . 1.11 110.251 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 22' ' ' ARG . 34.4 tt0 -110.06 111.59 23.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 2.13 110.292 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 tt -126.54 129.49 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 1.49 110.405 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.451 HD12 HD11 ' A' ' 66' ' ' ILE . 51.4 mt -121.93 130.32 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.934 -0.576 . . . . 1.31 110.268 177.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.661 HG21 HG23 ' A' ' 35' ' ' ILE . 14.3 p -93.15 137.11 32.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.219 0.533 . . . . 1.2 110.952 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 53' ' ' PRO . 40.6 t -129.98 149.75 74.02 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.282 -0.872 . . . . 1.95 109.918 -175.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.589 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.9 Cg_endo -49.14 160.43 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.822 2.348 . . . . 2.29 111.493 167.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.77 -1.78 6.88 Favored Glycine 0 C--N 1.317 -0.494 0 N-CA-C 115.503 0.961 . . . . 2.14 115.503 -166.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 5.6 p -70.15 116.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 117.731 0.766 . . . . 1.75 110.507 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 55' ' ' SER . 45.3 Cg_exo -59.93 -47.49 15.32 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.609 2.873 . . . . 1.09 114.306 -174.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' OE2' ' HE3' ' A' ' 91' ' ' LYS . 25.8 tt0 -65.55 -32.66 74.37 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.713 -0.395 . . . . 2.7 110.809 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -56.57 -46.65 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.545 . . . . 2.3 110.949 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.78 111.661 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.31 -35.63 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.082 0.468 . . . . 1.03 110.073 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -69.28 -34.55 74.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 3.35 110.151 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -43.86 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.779 -0.823 . . . . 1.22 108.779 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.6 -45.87 90.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.183 -0.917 . . . . 0.49 110.878 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.2 88.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 2.12 109.686 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -57.55 -48.09 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.701 -0.682 . . . . 2.21 110.64 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 HD12 ' A' ' 50' ' ' ILE . 69.1 mt -73.09 -43.79 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.584 -0.28 . . . . 0.66 111.751 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -67.45 -42.08 83.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.992 0.367 . . . . 0.63 111.992 -174.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.15 -29.19 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 2.46 110.424 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 3.8 mmmp? -101.11 20.17 16.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.747 -0.66 . . . . 2.41 111.11 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 130.68 42.4 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.513 -0.312 . . . . 0.78 111.247 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -86.24 108.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.613 2.208 . . . . 1.34 112.202 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.75 -166.03 22.46 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.887 -0.673 . . . . 0.77 112.366 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.59 127.18 17.48 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.845 2.363 . . . . 0.9 111.799 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.64 143.79 28.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 1.5 110.62 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 103' ' ' ASN . 45.6 mmtm -134.81 117.9 16.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.114 -0.699 . . . . 2.58 109.114 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' ALA . 21.6 t -107.04 125.38 63.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.173 0.511 . . . . 1.16 110.686 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -106.93 119.36 39.13 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.614 -0.721 . . . . 1.35 110.041 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.56 122.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.028 0.442 . . . . 1.01 110.127 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.03 105.89 16.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.703 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.58 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 20.2 pt -89.13 119.54 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.444 -0.576 . . . . 1.4 109.444 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 17.1 m -95.27 123.67 38.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 2.07 111.658 -172.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.7 -149.09 16.82 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.003 -0.617 . . . . 1.09 112.118 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 m -109.94 105.94 15.3 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.185 -0.302 . . . . 2.22 110.185 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.23 125.97 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 1.13 110.492 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.04 146.22 99.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.34 -0.615 . . . . 2.07 109.34 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -42.55 -50.94 5.45 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.259 2.639 . . . . 1.3 113.908 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.69 -39.66 64.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 2.43 110.884 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.6 -33.15 75.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 2.37 111.262 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -65.69 -42.09 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.178 -0.464 . . . . 2.81 110.176 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -72.55 -32.9 66.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.153 0.501 . . . . 1.33 110.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 44.6 tptt -61.78 -42.93 99.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.733 -0.667 . . . . 2.41 109.492 176.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.06 70.53 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.78 110.19 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 -49.83 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 2.44 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mmmm -55.84 -52.82 62.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 2.85 111.18 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.23 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.359 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.59 77.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.64 111.076 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.02 -37.83 81.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 2.62 110.574 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 46.8 mt-10 -72.75 -51.65 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 2.66 110.068 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.84 62.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.316 -0.856 . . . . 0.58 111.79 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -53.04 -34.44 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 3.77 110.898 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -71.7 -11.12 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 3.24 111.189 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -113.82 19.09 16.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.445 . . . . 2.65 110.594 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 11.6 m120 66.24 46.86 1.94 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.38 -0.827 . . . . 2.0 112.203 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.6 t -103.16 106.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.182 0.515 . . . . 0.99 109.774 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -106.26 108.55 20.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.769 -0.65 . . . . 4.06 110.665 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.26 134.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.493 . . . . 1.58 110.605 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -144.45 153.24 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 3.0 110.095 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.439 ' HA ' HG13 ' A' ' 80' ' ' ILE . 27.6 m -87.22 128.18 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.128 -0.487 . . . . 0.86 111.954 -175.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 81' ' ' THR . 12.9 p -122.38 141.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.095 -0.502 . . . . 1.51 110.299 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 p -120.32 -29.57 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.879 0.371 . . . . 1.55 111.643 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -122.13 141.44 34.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 1.52 110.318 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 51.2 Cg_exo -54.26 -36.37 86.22 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.187 2.591 . . . . 1.05 113.156 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -62.57 -29.24 70.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.583 -0.28 . . . . 2.48 111.253 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.527 ' HB2' HG23 ' A' ' 109' ' ' VAL . 48.0 mt-10 -65.57 -55.89 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.007 -0.368 . . . . 2.7 110.007 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.53 79.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.907 -0.588 . . . . 0.7 110.317 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.555 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 58.9 tttm -56.66 -34.65 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.339 -0.846 . . . . 2.33 111.206 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -76.86 -45.07 29.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 3.61 110.629 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.467 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 6.7 m95 -62.59 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 3.39 110.971 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.34 -44.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.81 110.278 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.01 -38.73 89.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 2.76 110.732 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.33 -42.64 91.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.82 -0.627 . . . . 2.57 110.247 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 50.0 m-85 -77.23 -26.37 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 3.02 111.498 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.8 m -71.96 -54.19 10.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.945 0.403 . . . . 1.4 111.498 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -90.17 -177.11 5.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 4.14 110.925 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.484 -0.769 . . . . 6.29 110.588 -179.231 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.667 0.27 . . . . 3.09 110.406 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -107.28 89.85 3.12 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.353 0.597 . . . . 3.31 109.618 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB3' HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -108.55 113.98 27.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.242 -0.89 . . . . 1.76 108.911 -177.273 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 14.0 t -110.56 131.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.537 -0.302 . . . . 0.46 110.751 -176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.03 106.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.509 . . . . 0.52 110.415 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.611 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.8 mp -106.45 109.78 21.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.159 -0.682 . . . . 1.33 109.159 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tt -110.61 145.25 17.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 1.36 110.613 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t -88.33 152.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.072 -0.714 . . . . 1.37 109.072 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.576 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 12.8 t -59.38 139.19 57.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.289 0.566 . . . . 3.23 111.999 -170.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -152.92 -170.18 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.486 -1.302 . . . . 4.58 107.486 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.0 156.17 7.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.553 0.615 . . . . 2.29 111.905 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.647 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 3.4 mppt? -55.0 -42.53 72.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 3.77 110.823 -175.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -60.08 -40.7 90.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 3.23 111.39 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.66 -49.48 46.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.525 -0.307 . . . . 1.39 110.959 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.69 -46.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.403 . . . . 0.97 110.167 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.1 mm-40 -67.79 -44.25 77.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 2.42 111.66 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.55 -46.69 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.517 -0.473 . . . . 2.53 110.848 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.56 73.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.396 0.617 . . . . 0.61 110.338 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 60.4 ttt180 -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.363 -0.835 . . . . 2.73 111.012 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.5 mttm -59.8 -42.79 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 2.52 110.695 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 83.9 mtp -61.33 -43.7 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.61 110.297 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.35 95.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 0.75 110.837 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.46 -37.77 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 2.57 110.904 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.45 -42.01 59.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 2.98 111.325 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.86 6.14 49.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.816 0.302 . . . . 0.76 111.816 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 64.3 41.02 6.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.97 -0.559 . . . . 2.22 111.25 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 23' ' ' LEU . 19.0 mt -95.83 150.77 20.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 1.11 110.099 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 tp10 -81.58 98.79 8.49 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.625 -0.509 . . . . 2.13 109.625 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.4 113.29 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.542 -0.54 . . . . 1.49 109.542 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 42.5 mm -121.74 127.21 75.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 1.31 110.217 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -111.04 99.7 8.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.339 -0.391 . . . . 1.2 110.823 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 50' ' ' ILE . 50.7 t -127.62 80.52 71.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.307 0.575 . . . . 1.95 110.361 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HB3' ' H ' ' A' ' 29' ' ' SER . 90.8 Cg_endo -91.7 106.27 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.317 2.678 . . . . 2.29 114.621 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.87 -53.19 0.16 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 118.738 -1.696 . . . . 2.14 110.527 158.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.616 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 58.2 m -119.94 174.32 2.97 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 107.844 -1.169 . . . . 1.75 107.844 158.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.97 -32.7 98.01 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 121.402 1.401 . . . . 1.09 111.629 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.616 ' OE2' ' HB2' ' A' ' 55' ' ' SER . 0.1 OUTLIER -73.92 -18.91 60.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.84 -0.618 . . . . 2.7 112.434 -176.259 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.66 -40.07 88.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.204 0.526 . . . . 2.3 110.014 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -70.67 -38.26 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.581 -0.736 . . . . 0.78 110.304 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 44.3 mt -68.52 -35.35 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 1.03 111.288 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.568 HH22 ' HB2' ' A' ' 98' ' ' GLU . 5.1 tpm_? -68.28 -38.76 82.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.006 -0.543 . . . . 3.35 110.261 -178.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -77.93 -26.4 48.94 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.396 -0.594 . . . . 1.22 109.396 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -55.54 -43.35 75.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.408 -0.814 . . . . 0.49 110.547 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -64.63 -41.83 95.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.211 -0.45 . . . . 2.12 110.81 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.58 -51.79 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 2.21 110.857 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.98 -37.27 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 0.66 110.995 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -68.99 -39.92 79.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.125 0.488 . . . . 0.63 111.029 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.63 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.565 -0.743 . . . . 2.46 110.6 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -94.95 21.19 7.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 2.41 110.961 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -99.25 117.92 63.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 0.78 110.775 178.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 12.5 Cg_exo -72.98 108.01 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.325 2.016 . . . . 1.34 111.856 176.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.89 -147.08 18.51 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.562 -0.745 . . . . 0.77 112.458 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.79 134.41 34.79 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.999 2.466 . . . . 0.9 112.031 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.28 138.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 1.5 111.134 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 23' ' ' LEU . 98.8 mttt -126.74 111.73 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.58 109.332 175.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 67' ' ' ALA . 59.7 t -109.45 126.79 66.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.004 0.431 . . . . 1.16 111.177 -177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 122' ' ' PHE . 67.2 tp -118.66 131.01 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.768 -0.651 . . . . 1.35 110.497 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.04 125.35 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.441 . . . . 1.01 109.984 175.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 109' ' ' VAL . 3.5 mm? -104.01 100.27 10.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.014 -0.539 . . . . 1.37 110.727 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.2 mt -84.34 99.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 1.4 109.334 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -76.44 133.12 39.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.161 -0.472 . . . . 2.07 111.806 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.05 -164.61 48.26 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 121.018 -0.611 . . . . 1.09 112.575 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 p -83.79 126.9 33.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.727 0.299 . . . . 2.22 110.714 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.27 123.87 28.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.898 -0.408 . . . . 1.13 109.898 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.19 150.51 84.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 2.07 110.402 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.42 -51.27 8.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.388 2.726 . . . . 1.3 113.713 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -75.83 -32.14 59.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.834 0.35 . . . . 2.43 110.913 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.83 -33.98 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.917 -0.583 . . . . 2.37 109.967 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -68.64 -33.58 74.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 2.81 110.115 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -69.82 -42.0 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.464 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 74.2 mmtt -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 2.41 110.216 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.52 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.551 -0.75 . . . . 0.78 110.505 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.99 -50.9 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 2.44 110.248 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -65.23 -41.63 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.881 -0.599 . . . . 2.85 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . . . -61.74 -49.27 77.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.62 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.64 111.685 -177.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -43.01 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.348 0.594 . . . . 2.62 109.991 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' HH22 ' A' ' 61' ' ' ARG . 7.4 mm-40 -77.94 -32.08 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 2.66 111.166 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.47 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -74.85 -29.54 61.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.58 111.739 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 44.7 mtm180 -64.23 -21.29 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 3.77 110.563 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -71.25 -13.77 62.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.84 -0.618 . . . . 3.24 110.381 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -119.72 22.91 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 2.65 111.016 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 69.44 31.39 3.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.764 -0.653 . . . . 2.0 112.244 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.47 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 58.8 t -96.31 133.08 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.399 . . . . 0.99 109.921 175.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -120.7 132.09 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.381 -0.372 . . . . 4.06 110.329 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.52 141.38 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.304 -0.407 . . . . 1.58 110.106 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.496 ' HD3' ' CD1' ' A' ' 118' ' ' TRP . 99.5 mtt180 -142.44 130.71 22.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.395 -0.366 . . . . 3.0 110.293 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.0 m -82.99 122.55 28.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 0.86 110.403 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -99.41 109.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.183 -0.462 . . . . 1.51 110.677 -174.55 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 p -84.61 -38.42 19.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.152 -0.476 . . . . 1.55 111.879 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -122.88 132.9 24.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.383 -0.371 . . . . 1.52 110.795 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.22 -35.99 82.44 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.452 2.768 . . . . 1.05 113.271 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 29.2 t70 -65.81 -38.46 89.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.421 0.629 . . . . 2.48 110.315 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 2.7 tp10 -73.9 -22.96 59.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.315 -0.857 . . . . 2.7 110.325 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -57.67 -39.62 77.5 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.151 0.501 . . . . 0.7 110.017 173.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 113' ' ' ASP . 21.8 ttpp -54.61 -46.65 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 2.33 110.492 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 117' ' ' ARG . 23.7 ttm-85 -65.08 -45.74 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 3.61 110.456 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.496 ' CD1' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -52.72 -45.71 67.06 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.865 -0.607 . . . . 3.39 111.681 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.91 -46.18 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.911 0.386 . . . . 0.81 110.492 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.49 -42.18 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 2.76 111.027 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.95 -42.38 90.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.406 . . . . 2.57 111.472 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 77' ' ' LEU . 36.0 t80 -75.78 -34.7 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.897 0.379 . . . . 3.02 111.334 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.9 t -78.04 -29.38 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.463 -0.335 . . . . 1.4 111.083 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.23 -38.83 20.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 4.14 111.266 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 6.29 110.851 -178.202 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.323 0.582 . . . . 3.09 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -85.75 100.49 12.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.83 -0.623 . . . . 3.31 110.57 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.08 116.4 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.91 0.386 . . . . 1.76 110.018 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.502 HG11 HG21 ' A' ' 66' ' ' ILE . 48.3 t -120.22 138.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.034 -0.53 . . . . 0.46 110.833 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.47 124.22 54.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.269 -0.423 . . . . 0.52 110.619 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 66' ' ' ILE . 5.6 mp -113.09 138.43 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.051 -0.722 . . . . 1.33 109.051 171.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.27 128.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.928 -0.397 . . . . 1.36 109.928 -176.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.98 95.34 3.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.691 -0.232 . . . . 1.37 110.614 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.521 ' OG ' ' HB ' ' A' ' 81' ' ' THR . 49.1 m -171.21 158.8 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.482 ' HA ' HD11 ' A' ' 35' ' ' ILE . 23.8 t-20 -127.92 81.54 2.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.881 -0.728 . . . . 4.58 109.481 168.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 31.1 t70 -127.28 123.1 35.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.764 -1.107 . . . . 2.29 108.832 171.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.65 -27.41 69.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.721 0.296 . . . . 3.77 111.691 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' OD2' ' A' ' 31' ' ' ASP . 6.1 ttpm? -77.33 -53.99 7.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 3.23 110.527 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 43.7 tp -59.17 -53.55 57.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.39 111.971 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 30' ' ' ASN . 65.3 mt -58.22 -44.81 88.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.618 -0.265 . . . . 0.97 111.351 -174.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.6 mm-40 -66.68 -48.17 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 2.42 111.064 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.64 -41.11 89.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.864 0.364 . . . . 2.53 110.549 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.3 97.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.61 110.743 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 2.73 110.474 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.6 mmtp -56.28 -45.9 79.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.643 -0.503 . . . . 2.52 109.643 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.5 mmm -63.94 -43.05 97.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 2.61 111.359 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -60.31 -39.53 87.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.721 -0.218 . . . . 0.75 111.026 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -67.85 -36.04 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.574 0.226 . . . . 2.57 110.889 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.6 mttm -66.48 -40.68 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 2.98 110.918 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.02 9.45 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.76 112.147 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 55.93 41.74 29.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.966 -0.561 . . . . 2.22 112.182 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD11 ' OG ' ' A' ' 123' ' ' SER . 57.8 mt -98.24 152.41 19.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.526 . . . . 1.11 110.223 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.19 99.41 12.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.995 -0.743 . . . . 2.13 108.995 172.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 42' ' ' ALA . 1.4 tt -95.99 119.1 33.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.537 -0.542 . . . . 1.49 109.537 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 HD13 ' A' ' 66' ' ' ILE . 50.3 mt -111.48 112.21 39.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.728 -0.669 . . . . 1.31 110.101 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -89.05 98.41 11.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.64 -0.709 . . . . 1.2 110.804 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.5 82.51 51.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 1.95 110.668 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.2 102.74 0.31 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.245 1.964 . . . . 2.29 112.587 166.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.59 -51.49 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.002 -1.571 . . . . 2.14 111.117 162.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 38.5 m -118.64 156.73 51.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.263 -0.643 . . . . 1.75 109.263 166.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 60' ' ' ILE . 53.8 Cg_exo -56.07 -52.5 7.16 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.685 1.59 . . . . 1.09 111.061 169.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.58 -23.73 66.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.554 -0.748 . . . . 2.7 111.713 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 21.4 tt0 -59.59 -54.34 47.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.618 -0.264 . . . . 2.3 111.593 -174.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.748 -0.205 . . . . 0.78 110.944 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 56' ' ' PRO . 24.9 mm -61.56 -49.18 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.47 0.652 . . . . 1.03 110.164 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -66.94 -37.26 83.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.312 -0.858 . . . . 3.35 110.533 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.74 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 1.22 110.695 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.4 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.49 110.817 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -64.42 -41.44 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.763 -0.653 . . . . 2.12 110.721 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.22 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 2.21 110.233 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD12 ' A' ' 50' ' ' ILE . 67.2 mt -62.99 -35.34 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.66 110.941 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -66.28 -44.12 84.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.63 111.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.18 -30.99 71.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.973 -0.558 . . . . 2.46 110.563 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -95.55 10.22 37.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.441 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.72 42.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.78 110.834 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.09 107.0 1.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 121.91 1.74 . . . . 1.34 112.108 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.92 -128.93 12.44 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.664 -0.698 . . . . 0.77 112.975 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.51 129.4 17.8 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.727 2.285 . . . . 0.9 112.365 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 67' ' ' ALA . 9.6 p -136.31 143.83 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.479 . . . . 1.5 110.676 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -137.91 107.82 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.229 -0.656 . . . . 2.58 109.229 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 104' ' ' VAL . 13.9 t -107.97 140.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 1.16 111.452 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 105' ' ' ARG . 61.2 tp -128.2 133.12 48.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.732 -0.667 . . . . 1.35 109.852 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 60' ' ' ILE . 21.8 t -116.8 129.58 73.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.982 0.42 . . . . 1.01 110.329 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.0 mm? -108.69 119.82 40.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.685 -0.689 . . . . 1.37 110.525 -177.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' THR . 4.4 mp -113.41 99.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.592 -0.521 . . . . 1.4 109.592 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.521 ' HB ' ' OG ' ' A' ' 29' ' ' SER . 11.8 m -86.78 132.57 33.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.765 0.317 . . . . 2.07 110.719 -178.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.78 -163.34 12.33 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.872 -0.68 . . . . 1.09 111.965 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.3 m -110.84 105.04 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.84 0.352 . . . . 2.22 110.838 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.71 128.37 35.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.181 -0.463 . . . . 1.13 110.542 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.28 140.15 97.66 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 2.07 110.525 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -41.11 -49.35 4.65 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.762 2.974 . . . . 1.3 113.9 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 2.0 m-20 -56.2 -53.81 52.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.78 0.324 . . . . 2.43 111.114 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.6 -31.07 68.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 2.37 111.027 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.54 -25.2 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.155 0.503 . . . . 2.81 110.079 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.8 m -84.21 -35.75 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 1.33 110.11 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 75.5 mmtt -63.9 -46.83 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.489 . . . . 2.41 110.183 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.692 -0.685 . . . . 0.78 110.241 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.9 -51.12 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.094 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 2.2 tmtp? -61.02 -43.55 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 2.85 109.873 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.03 84.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.63 110.876 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.82 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.64 111.309 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.6 -31.86 72.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.976 0.417 . . . . 2.62 110.563 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -72.17 -35.28 68.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.944 -0.571 . . . . 2.66 110.174 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.88 -13.65 47.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.58 111.448 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.39 -38.89 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 3.77 111.634 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -74.11 -4.01 33.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 3.24 111.59 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -103.16 20.72 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.996 0.427 . . . . 2.65 110.081 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.08 34.86 16.17 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.315 -0.857 . . . . 2.0 110.499 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 76' ' ' VAL . 54.8 t -101.69 131.99 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.611 -0.722 . . . . 0.99 110.292 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' O ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmm180 -119.53 133.2 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.389 -0.369 . . . . 4.06 110.14 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' ILE . 13.5 m -123.16 134.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.174 -0.466 . . . . 1.58 110.048 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -151.01 147.61 27.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 3.0 111.834 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 94.5 m -82.5 135.79 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.86 110.466 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.92 129.42 57.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.888 -0.596 . . . . 1.51 110.043 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -85.48 -31.12 22.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 1.55 111.372 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -161.7 145.89 9.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.342 -0.614 . . . . 1.52 109.342 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -40.49 -40.1 3.08 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.435 2.757 . . . . 1.05 113.732 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.69 -41.56 43.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.62 -0.718 . . . . 2.48 111.411 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.65 -45.25 75.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.778 -0.646 . . . . 2.7 110.341 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.43 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.7 110.552 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.16 -38.38 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.598 -0.728 . . . . 2.33 109.824 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.26 -46.03 90.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.589 . . . . 3.61 110.852 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -66.02 -39.84 90.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.398 -0.365 . . . . 3.39 111.107 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 -41.82 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.991 0.424 . . . . 0.81 110.095 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.6 -48.19 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.76 111.038 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.15 -42.82 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 2.57 111.868 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.45 -29.88 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.571 0.224 . . . . 3.02 111.36 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 47' ' ' LEU . 14.5 m -81.39 -43.98 18.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.061 0.458 . . . . 1.4 109.867 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 72.1 -54.99 0.68 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.687 -1.142 . . . . 4.14 111.728 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.068 -0.968 . . . . 6.29 110.545 178.225 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 49.2 ttm . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.202 -0.295 . . . . 3.09 110.202 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' HB2' HG12 ' A' ' 74' ' ' VAL . 28.0 mmm180 -88.01 98.07 11.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 3.31 110.217 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.524 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.7 mm? -89.87 130.94 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.2 -0.455 . . . . 1.76 110.275 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.47 127.03 69.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.46 110.403 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 60.4 t -116.24 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.222 -0.445 . . . . 0.52 110.126 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' ' 50' ' ' ILE . 64.7 mt -119.13 109.53 15.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.341 0.591 . . . . 1.33 109.897 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -107.31 128.01 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.34 -0.846 . . . . 1.36 111.099 -171.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -109.45 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.18 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.422 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 5.6 t -174.23 140.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.857 -0.794 . . . . 3.23 108.857 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.05 83.25 1.96 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.878 -0.729 . . . . 4.58 109.687 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 3.5 m-20 -125.16 166.75 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.011 -0.995 . . . . 2.29 109.607 175.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -91.83 -69.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.581 -0.448 . . . . 3.77 110.812 174.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.92 -22.7 66.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.203 0.445 . . . . 3.23 112.203 -172.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -80.02 -33.49 39.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.752 -0.462 . . . . 1.39 109.752 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 31' ' ' ASP . 1.8 mp -87.17 -47.76 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.97 111.093 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.3 mt-10 -58.32 -51.01 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 2.42 111.437 -177.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -36.61 79.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.45 -0.341 . . . . 2.53 111.223 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.68 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.61 110.106 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.45 -48.32 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.423 -0.808 . . . . 2.73 110.838 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.2 mttp -60.43 -52.49 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 2.52 110.951 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.6 mmm -60.49 -36.17 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 2.61 111.278 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.42 59.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.75 111.913 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.03 -32.14 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.595 -0.442 . . . . 2.57 110.909 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -76.21 -19.42 58.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 2.98 110.625 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.59 10.66 39.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.76 110.771 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 61.01 43.95 10.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.581 -0.736 . . . . 2.22 111.324 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 23' ' ' LEU . 37.5 mt -109.89 155.79 21.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.11 109.967 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -99.61 99.23 10.06 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.344 -0.613 . . . . 2.13 109.344 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.2 tt -111.64 128.09 55.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.087 0.47 . . . . 1.49 110.773 -176.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.8 mt -123.18 133.21 69.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.781 . . . . 1.31 110.093 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.2 p -82.65 110.37 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.134 0.492 . . . . 1.2 110.208 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 53' ' ' PRO . 62.9 t -87.33 145.55 37.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 1.95 111.067 -175.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.572 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.0 Cg_endo -49.99 161.32 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.021 2.481 . . . . 2.29 111.564 168.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.64 12.46 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 115.554 0.982 . . . . 2.14 115.554 -167.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' GLU . 36.9 m -104.7 134.01 19.88 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 118.063 0.931 . . . . 1.75 110.399 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.46 ' HG3' ' HB3' ' A' ' 88' ' ' GLU . 71.5 Cg_endo -71.68 -36.96 5.77 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.038 2.492 . . . . 1.09 113.248 -173.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.07 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 2.7 110.977 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 8.7 mm-40 -61.01 -43.67 98.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 2.3 110.349 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.52 83.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.78 111.023 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.588 HG21 ' HB1' ' A' ' 95' ' ' ALA . 30.0 mm -65.48 -48.83 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.274 0.559 . . . . 1.03 110.575 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -76.9 -14.6 59.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 3.35 111.029 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -77.43 -42.44 36.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.439 -0.949 . . . . 1.22 108.439 171.641 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.49 110.5 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -57.5 -37.06 72.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.617 -0.719 . . . . 2.12 110.761 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -73.86 -33.72 64.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 2.21 110.626 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -85.52 -52.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.443 -0.344 . . . . 0.66 111.912 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.81 87.38 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.8 0.667 . . . . 0.63 112.8 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.21 -35.45 77.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.085 0.469 . . . . 2.46 110.764 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -85.82 2.42 45.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.37 -0.377 . . . . 2.41 111.399 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.83 118.44 66.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.493 -0.322 . . . . 0.78 110.765 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -82.56 108.67 1.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.199 1.932 . . . . 1.34 111.584 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.25 -174.68 19.89 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.77 111.91 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' A' ' 21' ' ' MET . 8.7 Cg_exo -72.43 118.89 5.81 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.787 2.325 . . . . 0.9 111.794 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 22' ' ' ARG . 3.7 m -144.53 144.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.166 0.507 . . . . 1.5 111.448 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -143.28 140.17 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 2.58 108.948 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 139.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.365 -0.38 . . . . 1.16 110.76 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.21 121.37 44.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.317 -0.623 . . . . 1.35 109.317 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 106' ' ' VAL . 86.1 t -103.7 122.88 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.011 0.434 . . . . 1.01 110.095 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.635 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.2 mm? -115.1 108.35 16.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.763 -0.653 . . . . 1.37 111.177 -174.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.4 121.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.019 -0.734 . . . . 1.4 109.019 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 29' ' ' SER . 8.6 m -106.88 128.5 54.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.321 -0.399 . . . . 2.07 110.711 -175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.0 -158.03 15.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.745 -0.741 . . . . 1.09 111.903 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -92.93 127.22 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.338 -0.245 . . . . 2.22 110.338 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.02 128.82 39.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 1.13 110.897 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.91 135.79 96.45 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 2.07 109.967 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.51 -50.31 4.73 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.444 2.763 . . . . 1.3 113.967 -175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.07 -44.65 72.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.857 0.361 . . . . 2.43 110.658 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HB3' ' HG3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -64.98 -36.52 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 2.37 110.856 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.22 -0.445 . . . . 2.81 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.6 m -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.808 -0.633 . . . . 1.33 110.502 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -64.11 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 2.41 111.281 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . . . -69.06 -46.49 67.71 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.154 -0.476 . . . . 0.78 110.198 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 20.0 pttp -73.07 -31.95 64.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.116 -0.493 . . . . 2.44 110.772 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -50.16 64.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 2.85 109.843 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.588 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.22 -31.89 72.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.63 110.451 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.64 111.402 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 41.6 mt-10 -69.89 -22.14 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 2.62 111.153 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.191 0.52 . . . . 2.66 109.837 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.65 62.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 0.58 112.468 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -16.02 60.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 3.77 111.03 -179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -60.94 -33.67 73.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.19 0.519 . . . . 3.24 110.397 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.33 20.38 11.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 2.65 110.191 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 63.46 38.91 9.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.31 -0.859 . . . . 2.0 111.283 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.81 114.11 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 0.99 110.034 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -107.36 131.34 54.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.163 -0.472 . . . . 4.06 110.21 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 78' ' ' VAL . 19.0 t -117.08 130.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.392 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.87 158.13 43.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.94 0.4 . . . . 3.0 111.199 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.2 m -101.54 128.91 47.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.613 -0.721 . . . . 0.86 110.624 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 m -114.59 141.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.997 0.427 . . . . 1.51 110.155 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -113.69 -22.95 9.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.125 -0.489 . . . . 1.55 111.595 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.0 p -126.79 146.82 58.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 1.52 111.178 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.62 -23.24 74.65 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.934 2.423 . . . . 1.05 111.569 173.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 6.0 m-20 -63.37 -47.01 83.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.845 -0.616 . . . . 2.48 109.845 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.22 -37.56 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.274 -0.875 . . . . 2.7 109.613 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.804 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -56.96 -53.23 60.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.291 -0.868 . . . . 0.7 111.95 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 23.1 pttp -65.53 -20.34 66.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.677 0.275 . . . . 2.33 111.445 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.35 -48.12 14.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.072 -0.251 . . . . 3.61 111.385 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.804 ' NE1' ' HA ' ' A' ' 115' ' ' ALA . 29.5 p-90 -66.53 -26.5 67.17 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.839 -0.744 . . . . 3.39 110.933 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 115' ' ' ALA . 69.5 mt -60.04 -55.58 23.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.707 0.289 . . . . 0.81 110.842 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.33 -35.45 79.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 2.76 110.706 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.06 -26.58 61.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.57 111.095 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -90.5 -18.9 24.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 3.02 110.878 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.425 ' HA ' HD21 ' A' ' 47' ' ' LEU . 34.7 t -69.97 -34.93 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 1.4 110.935 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -98.21 174.96 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.408 -0.36 . . . . 4.14 110.226 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 6.29 111.101 -179.36 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.83 0.348 . . . . 3.09 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 2.1 mmp_? -95.55 89.97 5.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.426 -0.583 . . . . 3.31 109.426 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.2 mt -89.27 99.5 12.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.516 . . . . 1.76 109.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.04 131.69 49.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 0.46 110.71 -176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.2 t -119.33 133.75 65.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.782 -0.644 . . . . 0.52 109.407 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -121.63 133.41 54.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.159 -0.312 . . . . 1.33 110.159 178.183 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -124.02 140.48 47.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.983 0.421 . . . . 1.36 110.471 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.04 135.14 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 1.37 110.263 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.5 m -59.91 139.63 57.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.316 0.579 . . . . 3.23 111.715 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.543 ' H ' HD11 ' A' ' 35' ' ' ILE . 60.5 t30 -172.07 -172.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.644 -1.243 . . . . 4.58 107.644 -174.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -41.75 133.93 2.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.101 0.477 . . . . 2.29 110.602 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -22.58 63.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 3.77 112.918 -170.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -67.54 -37.6 82.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.943 0.401 . . . . 3.23 110.28 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD22 ' A' ' 30' ' ' ASN . 6.9 tp -70.07 -45.83 66.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 1.39 110.36 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' H ' ' A' ' 30' ' ' ASN . 65.5 mt -61.32 -41.53 90.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.661 -0.7 . . . . 0.97 110.281 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.45 -40.45 89.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.535 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 13.5 tp10 -60.4 -47.46 85.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 2.53 110.214 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.99 94.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.494 . . . . 0.61 110.588 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 39' ' ' ARG . 43.8 ttm180 -58.73 -52.85 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 2.73 110.862 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 50.6 mtmt -48.33 -52.93 19.31 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.555 0.534 . . . . 2.52 111.688 177.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.28 -42.89 65.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.195 -0.457 . . . . 2.61 112.024 -173.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.45 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.694 0.283 . . . . 0.75 111.028 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -38.34 83.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.352 -0.385 . . . . 2.57 110.882 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.69 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 2.98 110.577 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.67 2.26 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.76 111.191 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 66.18 33.05 7.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.851 -0.613 . . . . 2.22 111.509 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.51 145.06 24.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.947 -0.57 . . . . 1.11 109.544 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.54 99.45 10.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.026 0.441 . . . . 2.13 110.028 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 59.7 tp -97.85 127.47 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.49 111.537 -175.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.97 129.84 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 1.31 109.771 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.3 p -88.05 128.14 35.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.461 . . . . 1.2 111.023 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 53' ' ' PRO . 19.4 t -114.76 146.68 36.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 1.95 110.606 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.562 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.8 Cg_endo -48.37 160.44 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.245 2.63 . . . . 2.29 112.312 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.23 -4.78 31.28 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.359 -0.837 . . . . 2.14 114.801 -169.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 m -90.18 118.74 69.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 117.478 0.639 . . . . 1.75 110.711 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 60' ' ' ILE . 77.9 Cg_exo -54.51 -26.85 47.19 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.526 2.817 . . . . 1.09 112.809 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.12 -48.54 64.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.456 -0.793 . . . . 2.7 111.089 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -81.09 -27.43 35.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.657 . . . . 2.3 111.375 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -58.4 -52.14 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.987 0.422 . . . . 0.78 111.187 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 56' ' ' PRO . 5.5 mm -70.43 -36.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 1.03 110.485 -176.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 -69.34 -30.58 68.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 3.35 110.437 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -72.69 -43.12 63.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.383 -0.599 . . . . 1.22 109.383 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.43 81.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.49 111.232 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.61 -37.98 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 2.12 110.689 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.35 -49.48 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 2.21 110.596 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.92 -42.45 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 120.909 -0.317 . . . . 0.66 111.147 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -66.64 -34.88 78.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.946 0.403 . . . . 0.63 111.389 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -71.21 -38.38 72.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 2.46 110.467 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -96.67 20.08 11.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.947 -0.569 . . . . 2.41 111.425 -175.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.38 120.92 55.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.274 -0.421 . . . . 0.78 111.009 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.24 107.96 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.184 1.922 . . . . 1.34 111.86 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.27 -171.3 13.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.994 -0.622 . . . . 0.77 111.801 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.76 119.56 6.6 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.487 2.125 . . . . 0.9 111.553 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.22 143.17 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.99 0.424 . . . . 1.5 111.278 -175.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -150.6 127.31 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.348 -0.612 . . . . 2.58 109.348 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 t -111.19 139.73 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.047 0.451 . . . . 1.16 111.661 -170.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -115.27 124.21 50.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.719 -0.673 . . . . 1.35 109.76 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.37 119.62 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 1.01 110.637 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.1 mm? -96.17 99.79 11.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.769 -0.65 . . . . 1.37 110.041 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 108' ' ' THR . 34.7 pt -90.62 138.06 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.541 -0.54 . . . . 1.4 109.541 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -125.77 154.47 42.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.839 0.352 . . . . 2.07 111.03 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.42 178.15 51.36 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.863 -0.608 . . . . 1.09 112.173 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 m -90.09 99.46 12.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.712 -0.477 . . . . 2.22 109.712 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.52 7.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.78 -0.645 . . . . 1.13 110.46 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -66.09 150.82 96.37 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 2.07 110.146 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.83 -45.27 6.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.762 2.974 . . . . 1.3 114.002 -174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.85 -50.75 72.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 2.43 111.329 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.38 -34.55 63.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.639 -0.255 . . . . 2.37 111.197 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.99 -48.65 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 2.81 110.755 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.0 m -64.99 -37.15 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.33 110.561 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -66.51 -38.35 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 2.41 110.144 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.56 73.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.78 110.1 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -65.38 -44.64 86.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 2.44 111.002 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -64.43 -42.5 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.854 0.359 . . . . 2.85 110.154 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.0 97.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.476 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.64 110.968 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.97 -41.69 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 2.62 110.011 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -73.59 -48.51 32.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.78 -0.646 . . . . 2.66 110.973 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 102' ' ' TRP . . . -72.0 -13.51 61.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 0.58 112.176 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.36 -29.48 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.91 0.386 . . . . 3.77 111.333 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 101' ' ' LYS . 2.2 tpmt? -63.85 -16.44 61.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.037 -0.529 . . . . 3.24 111.406 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.435 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 25.5 m-90 -103.4 11.02 37.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.674 0.273 . . . . 2.65 111.492 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 63.43 65.54 0.75 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.726 -0.67 . . . . 2.0 110.714 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.66 135.33 59.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.914 -0.585 . . . . 0.99 109.916 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -120.67 120.68 36.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 4.06 110.326 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 m -95.72 129.72 45.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.168 -0.469 . . . . 1.58 110.142 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -137.17 151.57 48.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.068 -0.345 . . . . 3.0 110.068 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 19.3 m -96.98 130.78 44.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.86 111.482 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.53 109.45 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.51 110.718 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.7 p -84.7 -40.18 17.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 1.55 110.534 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -126.38 160.83 55.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.725 -0.671 . . . . 1.52 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.5 -28.3 73.08 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.344 2.029 . . . . 1.05 111.724 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.25 -34.92 64.44 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.691 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.74 -48.1 41.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.576 -0.738 . . . . 2.7 110.121 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.0 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.7 110.491 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.8 -48.13 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 2.33 111.309 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 118' ' ' TRP . 12.4 ptm180 -72.39 -39.9 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 3.61 111.539 -175.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.495 ' N ' ' HG3' ' A' ' 117' ' ' ARG . 6.6 m95 -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.439 -0.504 . . . . 3.39 110.651 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.51 -32.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.063 -0.517 . . . . 0.81 110.515 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.95 -42.05 34.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.475 . . . . 2.76 110.883 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.31 -30.47 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.52 . . . . 2.57 111.727 -174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -84.57 -37.15 21.54 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.003 -0.279 . . . . 3.02 111.558 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 p -69.6 -38.4 77.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.178 -0.209 . . . . 1.4 110.72 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 53.53 52.65 12.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.474 0.654 . . . . 4.14 110.757 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.186 -0.916 . . . . 6.29 108.992 178.702 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 2.6 tpm_? . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.734 -0.469 . . . . 3.31 109.734 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 47' ' ' LEU . 6.1 mp -107.62 138.06 44.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.0 -0.37 . . . . 1.76 110.0 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.3 136.64 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.649 -0.705 . . . . 0.46 110.352 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.6 t -124.18 117.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.613 -0.514 . . . . 0.52 109.613 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 ' HB ' ' A' ' 50' ' ' ILE . 37.4 mt -112.13 116.13 29.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.177 -0.465 . . . . 1.33 110.008 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.1 tt -105.88 126.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.03 -0.532 . . . . 1.36 111.028 -173.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 55.7 t -102.35 96.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.922 -0.581 . . . . 1.37 110.286 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -174.13 173.83 3.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 3.23 110.314 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -136.06 83.16 1.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.148 -1.056 . . . . 4.58 108.148 167.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 24.6 t70 -126.43 168.65 13.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 2.29 110.348 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.5 mppt? -91.57 -69.38 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.772 -0.371 . . . . 3.77 110.446 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.14 -44.46 94.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.731 -0.668 . . . . 3.23 112.326 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 37.2 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 1.39 110.726 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.74 -34.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 0.97 110.554 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 43.7 mt-10 -58.77 -62.61 1.74 Allowed 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.119 -0.326 . . . . 2.42 110.119 173.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.28 -35.55 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 2.53 111.52 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -49.66 63.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.659 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 74.1 ttt180 -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 2.73 111.19 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.19 -36.12 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.03 0.443 . . . . 2.52 110.621 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.475 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 92.8 mmm -67.19 -46.74 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.902 -0.59 . . . . 2.61 110.181 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.75 111.842 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 78.1 mm-40 -58.99 -44.85 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 2.57 111.149 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.53 -10.94 59.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.3 -0.409 . . . . 2.98 111.822 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -119.06 22.57 11.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.704 -0.225 . . . . 0.76 110.935 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 38.72 48.1 1.27 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.041 1.336 . . . . 2.22 113.207 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' ' 23' ' ' LEU . 67.6 mt -101.57 144.99 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.56 -0.746 . . . . 1.11 109.603 177.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.9 98.44 10.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.671 -0.492 . . . . 2.13 109.671 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.4 tt -110.13 124.71 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.043 0.449 . . . . 1.49 110.487 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' HD23 ' A' ' 26' ' ' LEU . 65.9 mt -120.61 134.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.49 -0.777 . . . . 1.31 110.258 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -81.5 121.98 26.97 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.889 -0.596 . . . . 1.2 111.345 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 53' ' ' PRO . 70.9 t -109.29 142.07 24.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.969 -0.56 . . . . 1.95 110.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.601 ' O ' HG12 ' A' ' 52' ' ' VAL . 10.6 Cg_endo -54.64 161.03 6.37 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.765 2.31 . . . . 2.29 111.534 169.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.39 13.58 0.17 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.53 0.972 . . . . 2.14 115.53 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 p -100.83 129.55 27.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.916 0.858 . . . . 1.75 110.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.46 -34.56 12.03 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.356 2.704 . . . . 1.09 113.921 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -65.57 -38.77 90.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 2.7 110.501 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.27 -45.75 76.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.605 -0.725 . . . . 2.3 110.706 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -64.27 -50.42 68.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.725 -0.67 . . . . 0.78 111.755 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' HB1' ' A' ' 95' ' ' ALA . 45.0 mm -65.5 -40.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 1.03 111.174 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -66.1 -31.49 72.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.049 -0.26 . . . . 3.35 110.618 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.68 -37.68 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.804 -0.443 . . . . 1.22 109.804 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.19 86.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.49 110.399 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.87 -42.04 88.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.777 -0.647 . . . . 2.12 110.474 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 56.6 mm-40 -66.89 -50.76 61.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.378 . . . . 2.21 110.941 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 26' ' ' LEU . 66.9 mt -58.08 -44.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.693 -0.231 . . . . 0.66 111.203 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.82 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.63 110.934 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -58.03 -53.04 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 2.46 111.145 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.9 mttm -85.91 12.84 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.649 -0.705 . . . . 2.41 111.223 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 126.07 56.59 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.267 -0.424 . . . . 0.78 111.069 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.32 107.98 2.57 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.971 1.781 . . . . 1.34 111.038 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.64 -166.04 24.99 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.73 -0.748 . . . . 0.77 112.299 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -79.61 136.17 12.09 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.135 2.557 . . . . 0.9 112.461 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 22' ' ' ARG . 12.8 m -130.49 163.17 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 1.5 110.789 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HA ' HD22 ' A' ' 103' ' ' ASN . 65.1 mttm -129.37 118.54 22.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.975 -0.75 . . . . 2.58 108.975 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.554 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.3 t -112.11 128.45 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.153 0.501 . . . . 1.16 111.326 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.78 127.12 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.648 -0.706 . . . . 1.35 109.862 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 60' ' ' ILE . 58.0 t -112.43 129.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.02 -0.363 . . . . 1.01 110.02 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -117.49 110.69 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.73 0.3 . . . . 1.37 111.132 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 66.4 mt -93.57 127.08 45.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.653 -0.499 . . . . 1.4 109.653 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 20.5 m -97.7 132.81 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.086 0.402 . . . . 2.07 112.086 -174.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.6 -151.04 26.12 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.73 -0.668 . . . . 1.09 113.054 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 t -96.7 138.36 34.38 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.017 -0.364 . . . . 2.22 110.017 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.66 130.59 46.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.215 -0.448 . . . . 1.13 110.367 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.48 158.19 74.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.942 -0.392 . . . . 2.07 109.942 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.7 -48.45 12.18 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.935 2.423 . . . . 1.3 112.02 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.72 -48.92 78.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 2.43 110.987 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.99 -42.32 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 2.37 110.459 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.12 -38.28 87.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.65 -0.705 . . . . 2.81 110.472 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -63.79 -42.73 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.33 110.091 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.04 -46.28 88.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 2.41 110.636 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.78 110.659 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -67.25 -53.76 27.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 2.44 110.637 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.95 -39.51 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 2.85 110.801 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -63.8 -44.54 92.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.31 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.51 78.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.787 0.327 . . . . 0.64 110.964 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.53 -44.94 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.341 -0.614 . . . . 2.62 109.341 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -70.85 -47.57 58.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.664 . . . . 2.66 110.481 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.724 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.84 -23.75 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.58 112.489 -175.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -55.74 -35.65 66.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 3.77 110.656 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -80.05 -11.4 59.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 3.24 110.974 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -100.95 11.73 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.005 -0.543 . . . . 2.65 109.941 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.502 HD22 ' HA ' ' A' ' 75' ' ' LYS . 3.1 t30 63.14 42.84 6.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.21 -0.905 . . . . 2.0 110.299 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.724 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 22.0 t -117.97 136.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.99 109.92 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -125.29 136.36 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 4.06 110.271 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.53 128.88 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.073 -0.512 . . . . 1.58 110.694 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -128.31 151.3 49.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.737 0.304 . . . . 3.0 110.409 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -97.36 136.78 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.672 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.2 m -126.09 148.33 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.481 . . . . 1.51 110.373 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 p -120.57 -41.09 2.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.164 0.507 . . . . 1.55 110.753 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 49.5 m -120.53 158.11 52.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.654 . . . . 1.52 109.77 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.49 -19.89 66.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.631 2.221 . . . . 1.05 112.318 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.79 -43.76 87.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 2.48 110.46 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 8.2 mp0 -66.29 -47.17 74.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 2.7 110.536 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.23 -50.64 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.7 110.74 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.475 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 40.2 ttmt -56.76 -40.46 75.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.615 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.502 ' HD2' ' CZ3' ' A' ' 118' ' ' TRP . 38.5 ttm180 -65.06 -49.81 68.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 3.61 111.271 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.502 ' CZ3' ' HD2' ' A' ' 117' ' ' ARG . 2.2 m95 -63.72 -34.89 78.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.436 -0.347 . . . . 3.39 110.527 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.18 -35.22 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.196 -0.456 . . . . 0.81 110.35 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.88 -52.74 61.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 2.76 110.777 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.37 -35.28 80.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.108 0.48 . . . . 2.57 110.855 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -75.15 -25.06 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 3.02 111.022 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.2 t -59.53 -71.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.827 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 4.14 111.128 -177.39 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.032 0.444 . . . . 3.31 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' ' 47' ' ' LEU . 4.5 tt -104.86 128.04 52.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.85 -0.796 . . . . 1.76 108.85 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 66' ' ' ILE . 47.2 t -106.51 127.25 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.757 -0.656 . . . . 0.46 110.172 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.9 119.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.827 0.346 . . . . 0.52 110.874 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -105.75 109.79 21.87 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.18 -0.674 . . . . 1.33 109.18 173.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 138.23 38.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.689 -0.485 . . . . 1.36 109.689 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -87.8 129.66 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.216 -0.447 . . . . 1.37 109.94 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -58.76 150.92 22.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.869 -0.605 . . . . 3.23 112.278 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.675 ' ND2' HG21 ' A' ' 81' ' ' THR . 4.7 p30 -179.21 -170.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 4.58 107.968 -171.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -43.88 133.5 4.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.46 0.648 . . . . 2.29 111.186 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -53.25 -27.25 21.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.821 -1.082 . . . . 3.77 113.594 -172.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -61.73 -46.04 91.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.96 0.41 . . . . 3.23 111.129 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 30' ' ' ASN . 3.2 tm? -68.33 -42.24 79.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.39 110.309 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 30' ' ' ASN . 52.6 mt -62.11 -48.96 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.97 110.891 -178.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.09 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 2.42 111.436 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.78 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 2.53 110.304 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.35 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.61 110.361 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -60.93 -41.45 96.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 2.73 110.764 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.06 -47.14 87.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 2.52 110.91 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 92.7 mmm -63.65 -37.46 87.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 2.61 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.48 55.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.75 110.854 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.37 -19.05 61.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.323 . . . . 2.57 111.251 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -66.58 -41.38 88.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 2.98 110.363 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.82 43.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 0.76 111.057 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 61.64 49.16 5.17 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.451 -0.795 . . . . 2.22 111.466 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 23' ' ' LEU . 17.0 mt -105.58 159.06 16.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 1.11 109.871 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.84 113.05 24.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.318 -0.253 . . . . 2.13 110.318 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -115.72 140.74 48.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 1.49 111.088 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HD13 ' A' ' 26' ' ' LEU . 84.9 mt -130.8 131.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.556 -0.747 . . . . 1.31 109.819 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.9 m -93.02 109.71 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.425 . . . . 1.2 110.013 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 53' ' ' PRO . 6.2 m -89.0 168.98 14.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.526 . . . . 1.95 111.288 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.0 Cg_endo -54.64 159.47 8.73 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.613 2.208 . . . . 2.29 111.622 167.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.65 10.26 4.11 Favored Glycine 0 C--N 1.318 -0.428 0 CA-C-N 115.811 -0.631 . . . . 2.14 114.282 -173.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -100.04 137.31 20.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 117.412 0.606 . . . . 1.75 110.72 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.74 -27.38 21.88 Favored 'Trans proline' 0 N--CA 1.466 -0.106 0 C-N-CA 123.24 2.626 . . . . 1.09 112.379 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 11.2 tp10 -59.78 -56.61 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 2.7 110.14 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.21 -29.29 70.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.437 -0.801 . . . . 2.3 111.502 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -63.0 -48.52 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.78 111.006 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.8 -35.06 35.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.719 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 80.2 mtp180 -62.2 -39.06 91.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 3.35 110.506 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -52.26 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.22 109.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.76 -43.81 94.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.238 -0.892 . . . . 0.49 111.562 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.39 -37.2 82.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.544 -0.753 . . . . 2.12 110.681 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.04 -51.62 37.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 2.21 110.597 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 24' ' ' VAL . 64.4 mt -61.44 -42.2 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.66 111.434 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.15 94.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.972 0.415 . . . . 0.63 111.191 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -67.65 -45.33 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 2.46 110.625 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 18.93 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.693 -0.685 . . . . 2.41 111.56 -174.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.6 116.73 66.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.63 -0.259 . . . . 0.78 110.582 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.35 107.67 1.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.203 1.935 . . . . 1.34 111.738 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.32 -149.26 18.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.012 -0.614 . . . . 0.77 112.379 176.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.27 142.84 21.75 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.647 2.231 . . . . 0.9 111.957 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -153.72 144.4 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 1.5 110.55 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -128.57 123.96 34.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.502 -0.555 . . . . 2.58 109.502 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 63' ' ' ALA . 18.7 t -115.7 133.89 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.846 0.355 . . . . 1.16 110.98 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 105' ' ' ARG . 48.6 tp -119.43 130.35 55.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.901 -0.59 . . . . 1.35 109.72 177.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.92 127.53 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.681 0.277 . . . . 1.01 110.374 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.8 mm? -112.49 100.02 8.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 1.37 110.923 -176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -80.8 124.63 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.322 -0.622 . . . . 1.4 109.322 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.675 HG21 ' ND2' ' A' ' 30' ' ' ASN . 17.8 p -87.51 143.72 27.07 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 2.07 112.401 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 -136.66 15.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.571 -0.74 . . . . 1.09 111.988 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 141.49 45.42 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.56 -0.533 . . . . 2.22 109.56 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.66 109.76 21.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.913 0.387 . . . . 1.13 110.528 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 28.1 m-20 -72.18 161.65 77.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.78 -0.646 . . . . 2.07 110.258 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 85' ' ' ASP . 68.5 Cg_exo -42.31 -50.71 5.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.494 2.796 . . . . 1.3 114.348 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.99 -48.03 59.81 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.866 0.365 . . . . 2.43 110.836 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' OE1' ' HB2' ' A' ' 85' ' ' ASP . 5.7 mp0 -56.79 -43.4 80.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.784 -0.644 . . . . 2.37 110.667 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -65.88 -40.34 91.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.522 -0.763 . . . . 2.81 110.656 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.4 m -69.6 -42.49 74.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 1.33 110.976 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.493 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 97.5 mttt -62.29 -40.6 96.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 2.41 110.719 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.84 76.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.924 -0.58 . . . . 0.78 109.936 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 25.9 ttpp -61.43 -53.79 51.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 2.44 111.361 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 21.3 pttp -57.87 -36.3 72.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.907 0.384 . . . . 2.85 111.227 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.58 32.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.228 -0.442 . . . . 0.63 110.75 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.64 110.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 45.9 mt-10 -66.28 -29.89 70.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.225 -0.443 . . . . 2.62 110.391 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -76.56 -40.26 50.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 2.66 109.768 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.49 -14.18 60.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.725 -0.67 . . . . 0.58 111.527 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.21 -23.7 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 3.77 110.736 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.04 -16.46 61.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.9 -0.591 . . . . 3.24 111.261 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -119.25 12.12 12.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.093 0.473 . . . . 2.65 110.766 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 60.29 72.67 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.924 -1.035 . . . . 2.0 111.284 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.27 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.99 109.625 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.7 tpm_? -86.95 99.96 12.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.893 -0.594 . . . . 4.06 110.858 -173.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -94.68 135.69 28.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 1.58 110.186 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -150.06 163.8 37.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 3.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 m -101.89 132.09 47.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.201 -0.454 . . . . 0.86 111.276 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.1 t -113.89 113.29 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.511 -0.768 . . . . 1.51 110.289 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -101.57 -26.03 13.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.398 0.618 . . . . 1.55 109.829 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 13.3 p -128.33 137.66 31.35 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.584 -0.735 . . . . 1.52 110.07 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 53.7 Cg_exo -52.73 -27.83 35.46 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.635 2.89 . . . . 1.05 113.737 -177.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.15 -35.59 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 2.48 110.819 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.44 -57.06 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 2.7 110.583 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -53.25 -45.63 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.455 -0.338 . . . . 0.7 110.992 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -64.13 -36.98 85.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 2.33 111.442 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -80.91 -39.15 26.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.552 -0.459 . . . . 3.61 111.134 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -70.89 -37.6 73.0 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 111.601 0.223 . . . . 3.39 111.601 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.07 -39.63 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.094 0.473 . . . . 0.81 109.792 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -69.53 -41.14 76.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.841 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.94 -41.09 83.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.729 0.299 . . . . 2.57 111.17 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -73.59 -21.69 60.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.167 0.508 . . . . 3.02 110.324 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -87.28 -47.51 8.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 1.4 111.025 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 4.14 109.994 -173.818 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.466 ' NH2' ' HB2' ' A' ' 48' ' ' GLU . 26.5 tpt180 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.907 0.384 . . . . 3.31 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.59 124.0 50.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 1.76 109.458 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 48.5 t -121.05 147.22 25.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.46 110.664 -174.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 40.5 t -125.73 126.45 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.98 -0.378 . . . . 0.52 109.98 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -116.39 123.21 47.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.85 -0.426 . . . . 1.33 109.85 175.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 tt -120.54 147.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.156 -0.474 . . . . 1.36 110.426 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' ' 52' ' ' VAL . 62.2 t -88.25 134.04 29.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.251 -0.648 . . . . 1.37 109.251 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.6 m -60.11 114.9 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.481 . . . . 3.23 111.755 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 34' ' ' LEU . 6.1 t-20 -134.52 -171.35 2.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 4.58 108.565 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -46.64 145.09 2.0 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.571 0.701 . . . . 2.29 112.495 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -36.84 -51.97 0.91 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 113.965 -1.47 . . . . 3.77 114.667 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.93 -34.4 78.32 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.249 0.463 . . . . 3.23 112.249 -170.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 30' ' ' ASN . 63.0 tp -64.58 -46.81 81.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.833 0.349 . . . . 1.39 110.427 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -32.2 53.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.97 110.39 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 22.9 mm-40 -70.62 -63.44 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.496 . . . . 2.42 110.908 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.1 -41.53 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.001 0.371 . . . . 2.53 112.001 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.61 110.992 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 49' ' ' LEU . 36.0 ttt180 -77.44 -32.01 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.409 -0.359 . . . . 2.73 110.693 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 28.6 mtpp -65.2 -34.02 77.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.847 0.356 . . . . 2.52 110.405 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.9 mmm -70.22 -38.77 75.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 2.61 110.107 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 47' ' ' LEU . . . -63.61 -44.23 94.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.661 -0.7 . . . . 0.75 110.61 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.27 -27.22 68.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.576 . . . . 2.57 110.556 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.11 -59.87 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 2.98 110.901 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.71 20.2 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.308 0.484 . . . . 0.76 112.308 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 63.37 67.77 0.64 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.391 0.615 . . . . 2.22 111.372 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 42' ' ' ALA . 2.5 mm? -119.05 142.27 48.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.004 -0.544 . . . . 1.11 109.788 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 36.3 tt0 -88.63 103.49 15.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.125 -0.694 . . . . 2.13 109.125 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.629 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.3 tt -105.95 135.68 46.97 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.896 -0.322 . . . . 1.49 111.12 -174.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.36 134.14 67.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.647 -0.706 . . . . 1.31 110.191 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -92.43 128.14 38.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.592 -0.276 . . . . 1.2 110.786 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 53' ' ' PRO . 4.5 m -112.33 167.52 9.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.757 -0.201 . . . . 1.95 111.414 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.9 Cg_endo -55.39 160.52 8.69 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.002 2.468 . . . . 2.29 112.224 168.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.99 32.94 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.101 -0.954 . . . . 2.14 114.821 -172.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 m -91.6 132.23 33.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.641 0.721 . . . . 1.75 111.087 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' O ' HG12 ' A' ' 60' ' ' ILE . 63.2 Cg_endo -69.62 -24.63 30.12 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 123.06 2.507 . . . . 1.09 113.11 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.42 -37.54 86.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 2.7 110.643 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.02 -39.32 75.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 2.3 109.928 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -59.45 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.523 -0.762 . . . . 0.78 111.191 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 56' ' ' PRO . 31.7 mm -65.83 -48.49 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.29 -0.414 . . . . 1.03 110.912 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -61.88 -40.71 96.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 3.35 111.197 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.13 -49.92 73.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 1.22 109.485 177.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -64.72 -32.79 74.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.386 . . . . 0.49 111.624 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.18 -40.21 95.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.156 0.503 . . . . 2.12 109.736 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 49.8 mt-10 -71.33 -33.57 69.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.796 -0.638 . . . . 2.21 110.866 176.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.516 ' CG1' ' HA ' ' A' ' 63' ' ' ALA . 32.9 mm -49.59 -58.38 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 CA-C-O 120.872 0.368 . . . . 0.66 110.499 174.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 102' ' ' TRP . . . -66.82 -37.66 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.62 -0.718 . . . . 0.63 111.18 -178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.64 -33.85 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 2.46 111.234 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 65' ' ' GLU . 24.7 mttp -100.83 6.17 43.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 2.41 111.173 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.44 131.35 44.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.666 -0.243 . . . . 0.78 111.052 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -83.04 108.39 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.432 2.088 . . . . 1.34 112.336 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.08 -163.63 17.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.781 -0.723 . . . . 0.77 112.633 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.0 120.65 7.93 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.965 2.443 . . . . 0.9 111.673 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.52 142.86 37.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.255 -0.429 . . . . 1.5 111.385 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.42 136.9 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.706 -0.679 . . . . 2.58 109.476 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 5.8 p -128.82 133.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.229 0.538 . . . . 1.16 111.132 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.3 tp -103.83 123.85 47.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.594 -0.73 . . . . 1.35 110.33 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -103.76 120.4 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 1.01 110.238 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.9 mm? -99.87 103.53 15.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.207 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -83.97 117.75 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 1.4 109.64 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 30' ' ' ASN . 72.1 p -83.71 119.17 24.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 2.07 111.674 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.17 -177.24 47.5 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.889 -0.672 . . . . 1.09 112.225 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -85.89 130.12 34.64 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.069 -0.345 . . . . 2.22 110.069 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.91 115.66 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 1.13 110.804 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.52 160.59 75.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 2.07 110.571 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -37.56 -50.84 1.78 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.11 3.207 . . . . 1.3 115.288 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.48 -47.7 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.944 -0.302 . . . . 2.43 110.798 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.67 -42.46 92.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.313 0.578 . . . . 2.37 109.835 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.8 -39.44 91.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.086 -0.961 . . . . 2.81 109.998 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.7 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 1.33 110.821 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.35 -41.69 80.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 2.41 110.471 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.51 -45.08 61.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.78 111.454 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -62.18 -34.31 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.646 0.26 . . . . 2.44 111.577 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 24.0 tptm -79.69 -51.38 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.525 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.63 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.63 111.292 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -66.17 -29.49 69.78 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.64 110.955 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.02 -45.09 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.976 0.417 . . . . 2.62 109.993 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 22.6 mm-40 -65.94 -49.14 69.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 2.66 110.374 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -71.79 -16.9 62.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.58 111.99 -176.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 39.8 ttm180 -59.08 -27.17 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 3.77 111.323 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -62.18 -29.38 70.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.205 0.526 . . . . 3.24 110.392 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 76.3 m95 -90.28 18.82 5.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 2.65 110.551 -177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 66.62 29.68 8.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.816 -0.629 . . . . 2.0 111.28 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.426 HG21 ' HB1' ' A' ' 99' ' ' ALA . 98.3 t -82.77 111.97 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.99 109.683 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -104.67 130.97 52.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 4.06 109.946 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.3 m -109.82 126.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 1.58 111.234 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 4.1 mmp_? -129.48 142.45 50.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.199 -0.455 . . . . 3.0 110.128 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.2 m -90.47 129.44 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.86 110.426 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 115' ' ' ALA . 74.8 t -125.61 126.73 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.16 -0.473 . . . . 1.51 110.737 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.1 p -113.44 -26.94 8.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.975 0.417 . . . . 1.55 110.709 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.4 p -130.3 146.51 61.93 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-O 121.093 0.473 . . . . 1.52 110.446 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 13.0 Cg_endo -56.43 -26.62 63.96 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.895 3.064 . . . . 1.05 114.037 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 22.7 t70 -66.08 -34.25 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 2.48 110.482 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.18 -47.77 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 2.7 110.491 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -55.97 -51.84 66.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.7 111.17 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -68.97 -21.73 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 2.33 110.94 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.4 tmm_? -74.93 -49.12 21.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.536 -0.542 . . . . 3.61 109.536 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -59.72 -54.43 46.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.166 -0.47 . . . . 3.39 110.718 177.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.7 mt -55.53 -39.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 0.81 111.228 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -59.57 -41.97 91.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.108 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -38.17 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.513 -0.312 . . . . 2.57 111.577 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.45 -21.5 63.72 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.084 -0.246 . . . . 3.02 111.373 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.3 m -81.72 -36.05 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.899 -0.408 . . . . 1.4 109.899 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.805 -0.634 . . . . 4.14 109.837 177.756 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.877 0.37 . . . . 3.31 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.473 ' CB ' HD22 ' A' ' 47' ' ' LEU . 2.8 mm? -107.17 99.83 9.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.748 -0.66 . . . . 1.76 109.293 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.5 t -98.93 116.25 41.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.223 -0.444 . . . . 0.46 111.004 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 13.9 t -109.91 115.33 49.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.559 -0.534 . . . . 0.52 109.559 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 32.5 mt -113.56 125.59 54.35 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.774 -0.454 . . . . 1.33 109.774 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.85 130.5 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.835 0.35 . . . . 1.36 111.208 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 38.9 t -108.82 97.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 1.37 109.742 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -172.15 149.2 2.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.848 -0.615 . . . . 3.23 109.665 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -115.73 77.49 1.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.295 1.045 . . . . 4.58 109.126 166.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.9 t70 -128.17 110.35 12.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.233 -1.349 . . . . 2.29 108.176 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 pttt -56.56 -32.11 64.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.885 0.698 . . . . 3.77 112.885 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -79.71 -50.43 10.62 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.71 -0.396 . . . . 3.23 111.026 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 36.7 tp -55.56 -43.64 76.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 1.39 110.831 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.35 -52.27 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.97 111.335 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 8.9 pt-20 -73.75 -40.02 63.81 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.26 -0.576 . . . . 2.42 111.65 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 41' ' ' MET . 70.0 mm-40 -58.89 -44.92 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 2.53 110.934 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 0.61 110.867 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.69 -46.35 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.296 -0.562 . . . . 2.73 110.285 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 89.9 mttt -48.82 -50.66 33.39 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.345 0.403 . . . . 2.52 111.239 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 15.8 ptm -71.24 -41.34 70.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 2.61 111.783 -177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.16 56.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.75 111.412 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.41 -26.2 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 2.57 110.322 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -69.65 -34.1 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.788 -0.449 . . . . 2.98 109.788 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.35 9.56 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.76 110.809 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.81 32.83 5.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.554 -0.748 . . . . 2.22 111.26 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 123' ' ' SER . 11.6 mt -95.93 166.09 11.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.852 -0.796 . . . . 1.11 108.852 173.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.59 103.46 12.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.639 0.733 . . . . 2.13 110.031 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.8 tt -105.57 121.69 44.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.646 -0.706 . . . . 1.49 109.906 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.457 ' HB ' HD23 ' A' ' 26' ' ' LEU . 66.6 mt -117.5 132.34 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.606 -0.724 . . . . 1.31 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -84.43 123.97 30.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.069 -0.514 . . . . 1.2 110.557 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.6 t -99.71 144.97 29.32 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.88 -0.6 . . . . 1.95 110.134 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.583 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -49.75 160.59 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.61 2.206 . . . . 2.29 111.124 166.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.13 11.47 1.41 Allowed Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.796 -0.638 . . . . 2.14 114.537 -169.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -96.18 114.7 64.75 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 117.475 0.638 . . . . 1.75 109.547 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' A' ' 88' ' ' GLU . 53.6 Cg_exo -61.17 -30.33 88.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.096 2.531 . . . . 1.09 112.678 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 91' ' ' LYS . 9.9 pt-20 -65.3 -37.43 87.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 2.7 110.992 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.96 -36.97 78.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 2.3 110.05 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -60.76 -48.21 82.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.694 . . . . 0.78 112.216 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 56' ' ' PRO . 16.4 mm -64.71 -38.32 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.21 0.529 . . . . 1.03 110.132 -177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 98.5 mtt180 -68.85 -32.67 72.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.576 -0.738 . . . . 3.35 110.315 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -42.02 87.78 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.136 -0.69 . . . . 1.22 109.136 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.53 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 0.49 110.545 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.38 -39.4 79.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 2.12 110.658 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 10.7 mm-40 -63.25 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 2.21 110.856 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.62 -47.75 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.66 111.767 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -71.97 -38.63 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.602 0.593 . . . . 0.63 112.602 -172.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.7 -33.6 66.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.737 0.303 . . . . 2.46 110.992 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 67.4 mmtt -84.72 -13.37 51.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.806 -0.358 . . . . 2.41 110.743 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.427 ' CB ' HG21 ' A' ' 74' ' ' VAL . . . -80.71 121.53 81.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.358 -0.383 . . . . 0.78 111.171 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 108.02 2.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.17 1.914 . . . . 1.34 111.86 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.07 -176.21 16.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.774 -0.727 . . . . 0.77 112.16 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.15 119.41 6.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.915 2.41 . . . . 0.9 111.848 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 70' ' ' ALA . 66.0 t -131.87 146.88 32.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.914 -0.585 . . . . 1.5 109.793 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 139.74 45.55 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.625 . . . . 2.58 109.314 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 28.2 t -122.05 137.03 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.38 -0.373 . . . . 1.16 110.624 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.2 109.32 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.531 -0.914 . . . . 1.35 108.531 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.1 p -103.76 123.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 121.587 0.708 . . . . 1.01 110.321 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 107' ' ' ARG . 79.2 mt -107.2 108.41 19.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.202 -0.908 . . . . 1.37 110.566 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 28.5 pt -91.68 123.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.928 -0.397 . . . . 1.4 109.928 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 9.4 m -99.42 131.88 45.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.38 -0.373 . . . . 2.07 111.134 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.61 -164.37 13.99 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.892 -0.671 . . . . 1.09 112.492 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -99.29 116.62 31.89 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.004 -0.369 . . . . 2.22 110.004 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.14 122.75 24.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.145 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -73.21 157.6 88.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.584 -0.525 . . . . 2.07 109.584 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -36.81 -51.01 1.4 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.135 3.223 . . . . 1.3 114.298 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 23.1 t70 -61.41 -57.21 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.65 0.262 . . . . 2.43 110.849 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 46.4 mt-10 -57.45 -40.28 78.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 2.37 110.983 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.25 -43.96 98.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 2.81 110.59 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -71.4 -40.69 70.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 1.33 110.66 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 57' ' ' GLU . 32.5 mmtp -56.44 -53.59 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.031 -0.531 . . . . 2.41 110.85 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -19.45 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.958 -0.565 . . . . 0.78 111.14 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -77.45 -55.92 4.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.093 -0.503 . . . . 2.44 110.758 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.9 -39.23 76.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 2.85 110.444 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.52 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.361 . . . . 0.63 110.968 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.32 83.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.412 . . . . 0.64 111.004 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 16.5 mm-40 -67.16 -26.79 66.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 2.62 110.536 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.61 -43.29 10.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 2.66 110.498 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.25 61.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.58 112.163 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 16.3 ptt180 -64.72 -10.78 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.394 -0.192 . . . . 3.77 111.406 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.7 -30.39 67.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.981 0.419 . . . . 3.24 110.7 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.526 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.1 m-90 -111.48 32.21 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 2.65 110.317 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.11 37.63 24.08 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.336 -0.847 . . . . 2.0 111.642 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -89.9 127.99 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.108 -0.496 . . . . 0.99 109.738 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 7.2 ptp180 -127.87 144.47 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.882 0.372 . . . . 4.06 110.804 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 t -109.86 128.23 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 1.58 110.463 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 28.2 ttm180 -136.72 133.62 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.941 0.401 . . . . 3.0 110.377 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m -88.67 136.4 33.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.057 -0.519 . . . . 0.86 111.34 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' THR . 30.8 m -125.71 140.25 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 1.51 110.258 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -120.41 -6.49 9.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.532 . . . . 1.55 111.034 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 49.7 m -150.06 142.13 15.46 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.471 . . . . 1.52 109.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 27.4 Cg_exo -62.17 -32.66 82.89 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.193 2.595 . . . . 1.05 112.452 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.414 0.626 . . . . 2.48 109.953 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 9.4 mm-40 -74.19 -45.23 49.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.096 -0.957 . . . . 2.7 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.84 74.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.7 110.542 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -56.77 -46.99 81.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.321 -0.854 . . . . 2.33 111.313 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 8.4 ptp180 -68.94 -29.35 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.832 -0.347 . . . . 3.61 110.548 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.89 -44.69 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 3.39 110.666 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.08 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.81 110.227 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -58.95 -46.19 88.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.966 0.412 . . . . 2.76 110.315 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.08 -31.13 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 2.57 110.685 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -80.03 -27.08 39.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.689 -0.687 . . . . 3.02 110.896 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.3 m -78.23 -38.69 42.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.171 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 4.14 110.874 -176.461 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 74' ' ' VAL . 30.7 mmm180 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.501 0.191 . . . . 3.31 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.78 114.88 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.76 109.262 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 66' ' ' ILE . 38.4 t -121.9 136.41 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.049 0.452 . . . . 0.46 111.56 -170.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.7 t -121.18 116.15 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.52 109.821 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 50' ' ' ILE . 21.3 mt -115.45 113.94 24.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.791 0.329 . . . . 1.33 110.651 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.82 133.01 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 1.36 110.795 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.22 94.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.37 109.993 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -175.91 -179.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 3.23 110.217 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -144.84 81.79 1.66 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.859 -0.793 . . . . 4.58 108.859 163.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -125.43 122.11 35.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 2.29 108.585 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -66.89 -32.13 73.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.125 0.417 . . . . 3.77 112.125 -171.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.17 -46.17 21.24 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.575 -0.45 . . . . 3.23 110.324 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.23 -54.03 51.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 1.39 110.724 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.435 HG23 HG21 ' A' ' 51' ' ' THR . 81.7 mt -61.29 -52.29 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.97 112.057 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 48.8 mt-10 -61.63 -56.47 19.51 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.191 -0.204 . . . . 2.42 111.537 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.9 -34.18 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 2.53 110.972 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.3 -46.56 66.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.61 110.45 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 49' ' ' LEU . 40.9 ttt180 -65.9 -35.24 80.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 2.73 111.196 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mmmm -59.8 -41.17 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 2.52 110.615 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 mmt -78.59 -30.18 46.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.243 -0.435 . . . . 2.61 110.556 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -53.37 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 0.75 111.461 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.02 -20.28 63.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.082 0.468 . . . . 2.57 110.665 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.6 -23.53 60.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.776 -0.647 . . . . 2.98 109.82 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 13.69 30.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.711 -0.677 . . . . 0.76 111.147 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 62.51 33.86 15.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.054 -0.521 . . . . 2.22 111.415 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.83 143.71 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.11 110.022 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -89.6 98.52 11.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.24 -0.652 . . . . 2.13 109.24 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 39' ' ' ARG . 9.4 tt -106.03 126.55 52.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 1.49 110.822 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 26' ' ' LEU . 81.0 mt -129.15 131.75 67.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.329 -0.85 . . . . 1.31 109.847 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 35' ' ' ILE . 3.8 p -94.71 128.03 41.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.313 0.577 . . . . 1.2 111.331 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.3 t -102.04 149.01 36.17 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.189 -0.914 . . . . 1.95 110.106 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.55 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -48.15 161.62 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.744 2.296 . . . . 2.29 111.332 165.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.05 13.45 0.35 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.243 0.857 . . . . 2.14 115.243 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.482 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 10.9 p -89.81 125.11 62.01 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 117.749 0.774 . . . . 1.75 110.82 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.94 -45.14 0.75 Allowed 'Trans proline' 0 C--N 1.335 -0.175 0 C-N-CA 123.211 2.608 . . . . 1.09 113.906 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -73.38 -34.24 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.576 0.226 . . . . 2.7 111.406 -175.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.22 -36.02 78.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.147 0.498 . . . . 2.3 110.417 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.45 81.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.78 110.975 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 51.1 mt -71.63 -33.03 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.215 -0.448 . . . . 1.03 110.227 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 47.1 mtp180 -66.41 -37.63 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.752 -0.462 . . . . 3.35 109.752 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -43.8 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.908 -0.775 . . . . 1.22 108.908 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.28 93.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 0.49 110.806 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 25.2 tp60 -57.53 -41.71 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.61 . . . . 2.12 110.572 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.58 -56.34 18.83 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.044 -0.526 . . . . 2.21 111.241 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 24' ' ' VAL . 52.6 mt -58.7 -37.55 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.66 110.713 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -61.85 -53.81 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.503 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 10.6 pt-20 -71.55 -27.67 63.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 2.46 111.502 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -91.14 4.16 52.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.643 -0.253 . . . . 2.41 111.112 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.81 133.31 43.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.679 0.276 . . . . 0.78 111.622 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.56 108.66 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.225 1.95 . . . . 1.34 111.947 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.69 -169.99 37.83 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.755 -0.657 . . . . 0.77 112.114 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 123.56 13.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.736 2.291 . . . . 0.9 111.394 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 22' ' ' ARG . 13.2 p -111.36 137.99 41.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.265 0.555 . . . . 1.5 110.578 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.93 101.32 7.78 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.772 -0.825 . . . . 2.58 108.772 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.486 ' CG1' HG22 ' A' ' 104' ' ' VAL . 6.0 p -128.53 137.57 56.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.152 0.501 . . . . 1.16 110.957 -177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.3 pt? -133.17 144.67 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 1.35 110.256 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -101.59 131.16 49.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 1.01 109.774 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.0 mm? -111.0 99.88 8.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.37 111.163 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 108' ' ' THR . 32.9 pt -94.84 153.63 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.917 -0.771 . . . . 1.4 108.917 173.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 p -68.83 153.47 43.73 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.527 -0.469 . . . . 2.07 110.506 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 108' ' ' THR . . . -46.47 -63.42 3.07 Favored Glycine 0 C--N 1.332 0.356 0 O-C-N 123.915 0.76 . . . . 1.09 114.295 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.2 m -78.95 98.44 6.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.202 0.525 . . . . 2.22 110.448 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.72 127.21 43.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.51 -0.768 . . . . 1.13 109.81 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 145.75 99.03 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.03 -0.532 . . . . 2.07 109.992 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -36.1 -47.65 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.463 2.775 . . . . 1.3 113.916 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.25 -29.71 66.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.045 0.45 . . . . 2.43 111.288 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -43.62 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.16 0.505 . . . . 2.37 109.941 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.04 -38.72 82.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.444 -0.798 . . . . 2.81 111.355 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 p -61.24 -48.03 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.149 0.5 . . . . 1.33 110.724 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -66.01 -35.44 80.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 2.41 110.977 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.16 -42.4 69.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.78 110.586 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -64.72 -34.94 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.44 111.042 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.85 -47.89 56.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 2.85 110.824 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.4 -40.24 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.63 111.762 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -55.87 -53.76 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.647 0.26 . . . . 0.64 111.231 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.93 -29.78 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 2.62 110.994 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.25 -45.54 59.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 2.66 110.383 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.1 -21.74 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 0.58 111.98 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 54.9 mtp180 -59.46 -17.29 29.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.702 0.26 . . . . 3.77 111.702 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.84 -18.03 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 3.24 111.394 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -119.89 27.25 8.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.933 0.397 . . . . 2.65 110.309 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.4 t30 66.67 57.33 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.277 -0.874 . . . . 2.0 111.303 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.486 HG22 ' CG1' ' A' ' 76' ' ' VAL . 43.6 t -120.73 113.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.99 109.742 175.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -114.84 153.63 30.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.667 -0.242 . . . . 4.06 110.499 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t -117.3 126.03 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.711 0.291 . . . . 1.58 111.04 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -120.31 157.83 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.666 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 2.6 p -104.98 139.4 39.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.86 111.161 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -116.41 133.19 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.019 0.438 . . . . 1.51 110.961 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t -116.73 -19.0 10.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 1.55 111.234 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.4 p -156.85 157.01 30.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.494 -0.321 . . . . 1.52 110.365 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.59 -19.46 67.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.183 . . . . 1.05 111.172 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.25 -54.98 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.702 -0.681 . . . . 2.48 109.816 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 28.7 mm-40 -65.73 -33.75 76.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 2.7 110.734 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -54.1 -49.61 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.267 . . . . 0.7 111.477 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -74.8 -13.33 60.57 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 2.33 111.04 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 45.8 ttt180 -64.91 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 3.61 110.999 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.578 ' CZ2' ' HG ' ' A' ' 79' ' ' LEU . 20.2 p-90 -67.65 -27.04 66.53 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.861 -0.336 . . . . 3.39 111.065 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.11 -49.93 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.059 0.457 . . . . 0.81 110.487 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.21 -33.89 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.365 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -69.78 -48.76 58.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 2.57 110.617 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 118' ' ' TRP . 7.5 t80 -60.12 -27.24 66.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.282 -0.872 . . . . 3.02 111.039 -176.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -73.09 -14.99 61.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.879 -0.6 . . . . 1.4 111.16 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.269 . . . . 4.14 111.343 -178.134 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.656 -0.498 . . . . 3.31 109.656 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' A' ' 47' ' ' LEU . 72.1 mt -117.85 115.4 24.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.202 0.525 . . . . 1.76 110.816 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.6 t -107.92 134.53 49.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 0.46 109.188 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -125.97 110.43 23.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.826 0.346 . . . . 0.52 110.723 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.4 mt -106.62 124.67 49.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.671 -0.492 . . . . 1.33 109.671 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.19 139.91 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.096 -0.502 . . . . 1.36 111.319 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -89.44 152.68 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.057 -0.72 . . . . 1.37 109.057 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 11.0 p -59.44 114.85 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 3.23 112.773 -171.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -131.7 -170.65 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.134 -1.432 . . . . 4.58 107.134 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -40.33 130.11 2.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 2.29 110.907 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -58.65 -29.14 66.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.303 -0.862 . . . . 3.77 112.654 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.6 tttm -75.32 -32.76 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.707 -0.479 . . . . 3.23 109.707 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 115' ' ' ALA . 62.1 tp -64.58 -41.74 96.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 1.39 110.686 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -39.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.136 0.493 . . . . 0.97 109.775 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 50.5 mt-10 -67.22 -46.3 74.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.401 175.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 70.8 mm-40 -57.91 -43.67 86.34 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.491 -0.322 . . . . 2.53 111.181 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.63 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.61 110.872 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 31.8 ttp180 -69.28 -34.42 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 2.73 110.86 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.9 mmtm -60.31 -41.78 94.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.179 0.514 . . . . 2.52 110.301 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.5 mmm -70.77 -40.2 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.689 . . . . 2.61 110.127 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -62.22 -53.58 53.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 0.75 111.445 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.01 -26.56 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 2.57 111.191 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 4.0 ttmp? -77.57 -42.37 35.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.177 -0.465 . . . . 2.98 111.038 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.72 13.23 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.953 0.406 . . . . 0.76 111.275 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 58.88 45.58 15.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.588 -0.733 . . . . 2.22 111.87 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 23' ' ' LEU . 18.1 mt -98.77 153.94 18.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.807 -0.633 . . . . 1.11 109.528 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.09 98.64 11.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.809 -0.441 . . . . 2.13 109.809 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.1 tm? -92.56 114.76 27.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.012 -0.366 . . . . 1.49 110.012 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 69.6 mt -125.26 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.076 -0.511 . . . . 1.31 109.964 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -113.67 105.56 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.565 -0.289 . . . . 1.2 110.366 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HG22 ' A' ' 50' ' ' ILE . 90.9 t -122.65 82.24 48.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 1.95 110.011 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HB3' ' H ' ' A' ' 29' ' ' SER . 84.6 Cg_endo -91.07 103.69 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.691 2.261 . . . . 2.29 114.127 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.19 -52.88 0.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.128 -1.51 . . . . 2.14 110.114 155.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.591 ' H ' ' CG ' ' A' ' 58' ' ' GLU . 19.1 m -120.38 168.61 10.17 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.073 -1.084 . . . . 1.75 108.073 163.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.8 -39.63 70.83 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 121.171 1.247 . . . . 1.09 112.032 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 55' ' ' SER . 1.3 mp0 -69.13 -19.88 64.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.811 0.301 . . . . 2.7 111.811 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.591 ' CG ' ' H ' ' A' ' 55' ' ' SER . 17.6 mm-40 -60.94 -40.36 92.97 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.046 0.451 . . . . 2.3 110.271 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.45 80.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.78 110.16 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 49.8 mt -69.8 -39.62 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 1.03 111.477 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -67.27 -41.44 85.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.836 0.35 . . . . 3.35 110.107 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -61.84 -38.58 88.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.81 -0.811 . . . . 1.22 108.81 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -58.47 -49.34 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.194 -0.912 . . . . 0.49 111.344 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.72 -37.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 2.12 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.76 -45.67 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.187 -0.46 . . . . 2.21 110.462 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.82 -39.74 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.66 110.53 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 0.63 111.376 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.91 -29.31 19.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 2.46 110.689 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -91.37 -22.8 20.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.972 -0.558 . . . . 2.41 112.304 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 118.81 69.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.563 0.221 . . . . 0.78 110.751 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -84.28 108.02 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.275 1.983 . . . . 1.34 112.023 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.72 -173.13 21.35 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.813 -0.63 . . . . 0.77 111.734 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.4 118.49 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.359 2.039 . . . . 0.9 111.254 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.92 123.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.99 0.424 . . . . 1.5 110.592 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -108.11 131.06 55.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.429 -0.582 . . . . 2.58 109.429 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 t -105.33 125.41 60.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.999 0.428 . . . . 1.16 110.459 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 115.56 30.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.173 -0.677 . . . . 1.35 109.173 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 62.4 t -104.03 115.51 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.902 0.382 . . . . 1.01 110.499 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.18 106.34 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.19 126.19 38.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.008 -0.738 . . . . 1.4 109.008 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.4 t -67.09 155.5 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.663 -0.244 . . . . 2.07 110.951 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.91 9.01 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.892 -0.594 . . . . 1.09 114.153 -172.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 p -84.01 97.59 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.217 0.532 . . . . 2.22 111.548 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . -102.76 146.59 28.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.13 109.923 173.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.99 152.92 63.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.93 -0.396 . . . . 2.07 109.93 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -44.93 -51.31 7.64 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.734 2.956 . . . . 1.3 113.861 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.88 -44.5 63.67 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.902 -0.319 . . . . 2.43 110.69 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.77 -34.25 69.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 2.37 111.345 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' A' ' 84' ' ' ALA . 62.4 mttm -56.26 -50.39 71.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.108 0.48 . . . . 2.81 110.632 175.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -75.17 -35.55 61.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 1.33 111.108 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HE2' ' OE2' ' A' ' 57' ' ' GLU . 56.6 mtpt -65.21 -38.23 89.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 2.41 110.851 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.12 -29.8 67.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.993 0.425 . . . . 0.78 110.043 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -66.29 -51.1 60.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.861 -0.608 . . . . 2.44 110.455 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -59.58 -39.62 84.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.308 -0.405 . . . . 2.85 110.908 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.85 87.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.63 110.812 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.79 92.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.999 -0.546 . . . . 0.64 111.271 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.7 -39.54 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 2.62 111.003 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.25 -42.48 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 2.66 110.229 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.51 -13.21 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.614 . . . . 0.58 111.827 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -60.06 -39.88 87.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.565 -0.288 . . . . 3.77 111.195 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -75.64 -3.83 36.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.166 0.508 . . . . 3.24 110.762 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -103.12 13.02 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.766 -0.652 . . . . 2.65 109.885 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.4 t30 62.68 39.71 10.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.87 0.843 . . . . 2.0 110.512 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 91.4 t -109.64 134.0 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 0.99 109.757 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -126.74 134.99 50.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.457 -0.338 . . . . 4.06 110.687 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.28 139.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.191 0.519 . . . . 1.58 110.661 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -137.44 111.57 8.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.586 -0.734 . . . . 3.0 109.268 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 m -77.37 135.53 38.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.801 0.334 . . . . 0.86 110.375 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 115' ' ' ALA . 93.9 t -123.71 110.63 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.696 -0.684 . . . . 1.51 110.294 -178.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.3 t -104.96 -15.13 15.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.34 0.591 . . . . 1.55 109.696 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m -135.18 130.53 19.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 1.52 109.996 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.15 -29.51 16.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.987 3.125 . . . . 1.05 114.457 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.91 -25.38 65.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.749 -0.205 . . . . 2.48 111.148 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.8 -57.2 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.683 0.278 . . . . 2.7 110.703 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -56.1 -50.65 70.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.7 111.577 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.58 -32.75 71.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 2.33 110.744 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -76.21 -49.99 15.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.723 -0.671 . . . . 3.61 110.824 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -64.37 -46.61 82.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 3.39 111.572 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.88 -39.92 59.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.81 110.731 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.9 tttm -64.46 -46.09 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.506 -0.315 . . . . 2.76 110.433 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -38.4 91.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.605 0.241 . . . . 2.57 110.864 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -69.06 -26.04 64.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 3.02 110.712 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.5 m -83.25 -11.01 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 1.4 110.521 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 81.7 mm-40 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 4.14 110.249 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.566 0.698 . . . . 3.31 110.801 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 123' ' ' SER . 71.3 mt -91.37 120.31 32.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.87 . . . . 1.76 109.198 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 34.4 t -111.49 120.61 62.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.821 -0.437 . . . . 0.46 109.821 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.8 t -123.33 113.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.949 0.404 . . . . 0.52 110.728 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.7 mp -107.22 120.98 43.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.336 -0.616 . . . . 1.33 109.336 174.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 79' ' ' LEU . 2.6 pp -110.35 144.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.148 -0.621 . . . . 1.36 110.83 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 25.3 t -88.87 137.25 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.119 -0.946 . . . . 1.37 109.412 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -64.39 166.3 8.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.159 1.17 . . . . 3.23 114.159 -170.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 81' ' ' THR . 5.8 t-20 179.42 -168.81 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.245 -1.798 . . . . 4.58 106.491 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -38.06 133.16 0.93 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.401 0.438 . . . . 2.29 110.731 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -61.45 -18.1 57.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.034 0.753 . . . . 3.77 113.034 -170.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.71 -39.08 90.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.068 0.461 . . . . 3.23 109.982 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.68 -49.59 62.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.396 -0.82 . . . . 1.39 110.331 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.44 -50.81 70.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.296 -0.865 . . . . 0.97 111.255 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 46.8 mm-40 -61.14 -52.05 66.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.616 . . . . 2.42 111.254 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' HE3' ' A' ' 41' ' ' MET . 13.9 tp10 -65.26 -39.04 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.546 -0.297 . . . . 2.53 111.395 -172.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.47 97.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.49 . . . . 0.61 110.677 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -68.16 -32.84 73.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 2.73 110.555 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 84.1 mttt -63.27 -35.79 81.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.052 -0.522 . . . . 2.52 110.593 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.52 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 42.7 mtt -72.25 -29.13 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.884 -0.598 . . . . 2.61 110.565 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.24 66.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.898 -0.592 . . . . 0.75 111.35 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.71 -21.32 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 2.57 111.146 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -79.71 -44.31 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 2.98 110.933 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.88 5.06 47.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.955 -0.566 . . . . 0.76 111.546 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 60.1 38.35 20.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.636 -0.711 . . . . 2.22 111.751 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.39 153.99 32.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.11 110.334 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -92.68 105.79 17.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.126 -0.488 . . . . 2.13 109.784 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.57 134.1 52.32 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.14 0.495 . . . . 1.49 110.781 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.434 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 4.2 mp -116.52 126.79 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.754 . . . . 1.31 109.626 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -87.33 106.97 18.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.11 0.481 . . . . 1.2 110.892 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 53' ' ' PRO . 54.7 t -104.35 145.34 30.49 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.587 . . . . 1.95 111.361 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -37.18 163.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.591 3.527 . . . . 2.29 115.509 165.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 28' ' ' VAL . . . -68.71 12.41 1.04 Allowed Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 112.754 -2.021 . . . . 2.14 114.569 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -110.32 118.63 48.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 1.75 110.789 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.64 -27.55 81.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.006 2.471 . . . . 1.09 111.996 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.68 -54.28 19.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.705 -0.68 . . . . 2.7 110.561 171.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.15 -44.28 84.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.3 110.425 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.99 -60.98 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.883 0.697 . . . . 0.78 112.883 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 HG12 HG11 ' A' ' 78' ' ' VAL . 20.7 mt -69.31 -31.74 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 1.03 111.274 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -68.01 -41.36 82.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.126 -0.488 . . . . 3.35 109.712 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.8 tp -71.33 -30.75 66.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 1.22 110.191 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.68 91.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.49 110.767 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -67.24 -37.5 83.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.521 . . . . 2.12 110.637 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.69 -57.22 13.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.788 -0.642 . . . . 2.21 110.6 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.71 -34.73 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.66 110.79 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -61.16 -44.15 97.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.069 0.462 . . . . 0.63 111.724 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' OE2' ' HE3' ' A' ' 69' ' ' LYS . 31.6 tt0 -72.68 -37.71 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 2.46 110.761 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HE3' ' OE2' ' A' ' 68' ' ' GLU . 33.2 mmtp -89.08 1.69 55.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 2.41 112.107 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.93 123.05 68.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.548 0.213 . . . . 0.78 110.95 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.12 108.78 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.171 1.914 . . . . 1.34 112.318 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 74' ' ' VAL . . . 133.9 -170.85 22.31 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.045 -0.598 . . . . 0.77 111.816 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.67 117.95 5.24 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.176 1.917 . . . . 0.9 110.384 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' GLY . 79.1 t -113.41 126.56 70.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.179 0.514 . . . . 1.5 111.747 -171.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 22.7 tptm -133.89 117.53 16.89 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.378 -0.971 . . . . 2.58 108.378 173.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG21 ' HB2' ' A' ' 67' ' ' ALA . 14.1 t -113.99 147.62 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.12 0.486 . . . . 1.16 111.512 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.05 124.16 17.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.694 -0.854 . . . . 1.35 108.694 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 13.5 p -114.59 128.56 71.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.458 0.647 . . . . 1.01 110.168 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' HB2' HG22 ' A' ' 27' ' ' ILE . 2.8 mm? -107.69 99.53 9.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.323 -0.853 . . . . 1.37 110.827 -171.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 1.6 tt -81.66 124.47 39.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.435 -0.579 . . . . 1.4 109.435 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 30' ' ' ASN . 61.0 m -108.51 124.21 50.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.061 -0.518 . . . . 2.07 111.04 -170.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.59 15.86 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.988 -0.625 . . . . 1.09 111.955 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -110.09 135.75 50.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.895 -0.409 . . . . 2.22 109.895 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.92 115.5 21.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 1.13 111.151 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -69.98 152.16 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 2.07 109.877 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -41.54 -49.68 5.05 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.686 2.924 . . . . 1.3 114.296 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 5.4 m-20 -60.17 -54.91 40.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 2.43 110.745 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 91' ' ' LYS . 13.5 mm-40 -69.81 -26.74 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.094 -0.503 . . . . 2.37 111.398 -176.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -63.57 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.513 0.673 . . . . 2.81 109.223 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 m -75.35 -33.62 61.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 1.33 110.355 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 33.2 mmtp -62.87 -45.1 94.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.992 -0.549 . . . . 2.41 109.957 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.52 75.21 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.119 -0.946 . . . . 0.78 110.857 -171.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -35.15 80.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 2.44 111.257 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -75.44 -53.66 8.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.021 -0.536 . . . . 2.85 110.573 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.0 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.069 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -60.48 -39.7 88.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.64 110.992 178.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.51 -41.13 84.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.769 -0.65 . . . . 2.62 110.575 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.49 -39.92 67.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 2.66 110.41 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.94 -12.19 60.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.58 112.151 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 38.9 mtp180 -55.44 -26.76 43.92 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.739 0.274 . . . . 3.77 111.739 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.22 -33.1 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 3.24 110.963 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.466 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 30.0 m-90 -102.77 9.2 39.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 2.65 110.738 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER 64.62 36.94 8.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.544 -0.753 . . . . 2.0 111.347 178.258 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.556 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 39.8 t -82.16 107.25 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.99 109.987 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -92.5 143.69 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 4.06 111.091 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.421 HG22 ' CG1' ' A' ' 78' ' ' VAL . 47.4 t -110.69 123.75 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.56 . . . . 1.58 110.217 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -128.37 145.66 51.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.848 0.356 . . . . 3.0 110.628 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 m -100.52 133.65 44.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.011 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.86 110.4 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.15 -0.477 . . . . 1.51 110.052 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m -99.86 -27.6 13.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.349 0.595 . . . . 1.55 109.975 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.1 p -135.95 142.4 40.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.27 -0.641 . . . . 1.52 109.27 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.92 -18.81 36.84 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.199 2.599 . . . . 1.05 113.856 -172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.44 -20.93 61.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 2.48 110.625 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.63 -37.67 62.74 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.969 -0.382 . . . . 2.7 109.969 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.89 69.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.7 110.677 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -59.3 -32.64 70.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 2.33 110.411 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -73.08 -59.2 2.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 3.61 111.156 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -66.52 -33.19 75.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.479 0.548 . . . . 3.39 112.479 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.82 -46.55 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.808 -0.357 . . . . 0.81 110.487 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HA ' ' OG ' ' A' ' 123' ' ' SER . 63.8 mttp -70.86 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 2.76 110.998 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.72 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 2.57 109.791 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 93.4 t80 -78.87 -36.03 42.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.009 -0.996 . . . . 3.02 110.983 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 120' ' ' LYS . 25.4 p -81.2 -54.74 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.4 111.538 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.778 -0.192 . . . . 4.14 110.659 -177.746 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.529 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 10.4 mmm180 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.668 0.27 . . . . 3.31 111.046 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.86 100.22 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 1.76 109.555 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -106.27 132.9 52.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.968 -0.56 . . . . 0.46 111.476 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 110.56 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.52 109.913 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD23 ' HB ' ' A' ' 50' ' ' ILE . 19.8 mt -106.59 113.2 26.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.916 -0.584 . . . . 1.33 109.978 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.6 tt -116.64 133.5 63.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.43 0.633 . . . . 1.36 111.989 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 80' ' ' ILE . 2.7 p -124.58 103.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.243 -0.89 . . . . 1.37 109.037 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.535 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 59.1 m -145.76 -178.82 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.248 0.462 . . . . 3.23 112.248 -174.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -78.21 -170.84 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.226 -0.897 . . . . 4.58 111.189 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -8.89 128.3 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.023 1.729 . . . . 2.29 114.911 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 57.9 mtpt -60.7 -14.78 23.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.741 -1.118 . . . . 3.77 113.529 -171.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -53.28 -44.37 68.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.071 0.462 . . . . 3.23 110.54 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -41.38 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.603 -0.726 . . . . 1.39 110.748 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 64.8 mt -65.13 -47.44 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.97 111.275 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 mm-40 -58.26 -43.65 88.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 2.42 110.556 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' MET . 43.6 tt0 -61.96 -42.71 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.241 -0.436 . . . . 2.53 110.294 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.5 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.834 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 67.1 mtp180 -63.61 -36.48 83.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 2.73 110.753 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 75.7 mmtt -63.06 -31.84 73.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 2.52 110.446 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.4 mmt -76.12 -37.44 58.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 2.61 109.669 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.16 72.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.75 111.441 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -62.35 -27.17 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 2.57 111.027 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -69.54 -60.27 2.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.215 -0.448 . . . . 2.98 111.255 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.84 16.68 15.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.76 111.711 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.39 58.6 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.282 -0.872 . . . . 2.22 111.959 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.87 137.27 41.29 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.283 -1.006 . . . . 1.11 108.283 170.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 12.2 tt0 -81.39 97.97 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.213 0.53 . . . . 2.13 109.747 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 116.64 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.318 -0.856 . . . . 1.49 109.737 -176.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HB ' HD23 ' A' ' 26' ' ' LEU . 36.2 mm -126.19 131.29 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 1.31 109.704 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 p -85.59 130.29 34.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.209 -0.451 . . . . 1.2 111.301 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 53' ' ' PRO . 66.9 t -105.06 143.15 26.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.755 -0.657 . . . . 1.95 111.016 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.613 ' O ' HG12 ' A' ' 52' ' ' VAL . 9.2 Cg_endo -53.44 161.61 3.9 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.019 2.479 . . . . 2.29 111.951 168.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.18 12.79 0.41 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.334 0.894 . . . . 2.14 115.334 -170.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -108.99 118.47 51.36 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 117.46 0.63 . . . . 1.75 110.423 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HD2' ' OE1' ' A' ' 88' ' ' GLU . 46.2 Cg_exo -58.26 -26.42 76.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.011 2.474 . . . . 1.09 112.372 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.492 -0.776 . . . . 2.7 110.479 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.8 tp10 -67.84 -36.7 80.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.459 -177.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.8 86.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.78 111.203 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 95' ' ' ALA . 50.0 mm -72.08 -39.89 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.082 -0.508 . . . . 1.03 111.029 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 61' ' ' ARG . 56.2 mtt180 -73.13 -27.15 61.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.45 -0.341 . . . . 3.35 111.496 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -67.59 -40.94 84.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.709 -0.849 . . . . 1.22 108.709 173.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.67 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.47 -0.786 . . . . 0.49 110.406 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.712 . . . . 2.12 110.569 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.7 -55.57 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 2.21 110.605 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.84 -35.97 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 0.66 111.276 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -60.6 -36.01 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.332 . . . . 0.63 111.843 -178.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.1 -22.59 20.64 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.835 -0.346 . . . . 2.46 111.725 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -83.22 -29.07 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.704 0.288 . . . . 2.41 111.361 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 22' ' ' ARG . . . -80.76 122.38 82.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.521 -0.309 . . . . 0.78 111.296 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.02 108.79 1.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.296 1.998 . . . . 1.34 112.038 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.11 -155.98 18.86 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.77 112.234 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.56 119.83 6.73 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.827 2.351 . . . . 0.9 111.672 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 67' ' ' ALA . 4.9 t -118.71 137.18 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.825 0.345 . . . . 1.5 110.407 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -141.75 117.16 10.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.903 -0.777 . . . . 2.58 108.903 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 104' ' ' VAL . 18.8 t -119.07 140.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.295 0.569 . . . . 1.16 111.664 -174.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 tp -123.41 124.86 43.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 1.35 109.402 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.8 m -105.99 129.03 59.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.217 0.532 . . . . 1.01 110.523 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 107' ' ' ARG . 74.2 mt -109.17 100.01 9.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.748 -0.66 . . . . 1.37 110.326 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.489 ' HA ' HG13 ' A' ' 28' ' ' VAL . 37.2 pt -94.4 133.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.826 -0.435 . . . . 1.4 109.826 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.535 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 5.5 t -92.05 152.2 20.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.037 0.446 . . . . 2.07 111.647 -175.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.38 -146.65 50.48 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.462 -0.79 . . . . 1.09 112.803 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -109.93 143.31 40.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.546 -0.539 . . . . 2.22 109.546 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 125.12 28.5 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.54 -0.541 . . . . 1.13 109.54 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.08 156.5 10.27 Favored Pre-proline 0 C--O 1.222 -0.381 0 CA-C-N 115.943 -0.571 . . . . 2.07 110.166 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -37.27 -50.88 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.674 2.916 . . . . 1.3 114.203 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -71.79 -45.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 2.43 110.795 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 56' ' ' PRO . 8.3 mm-40 -63.2 -30.44 71.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.781 -0.645 . . . . 2.37 111.014 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.63 -52.42 60.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 2.81 111.256 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -73.7 -26.11 60.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.038 0.447 . . . . 1.33 110.145 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -69.14 -50.23 49.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 2.41 110.437 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.72 -20.77 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.78 110.473 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.75 -48.21 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 2.44 109.825 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.5 -39.88 88.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 2.85 110.348 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.5 -34.68 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.042 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.87 90.3 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.64 111.609 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -73.03 -23.36 60.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 2.62 110.961 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.707 ' O ' ' HE3' ' A' ' 101' ' ' LYS . 8.7 tp10 -71.28 -54.88 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.612 -0.514 . . . . 2.66 109.612 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -69.82 -13.99 62.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.186 0.517 . . . . 0.58 111.262 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.87 -26.13 65.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.77 110.761 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HE3' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.6 -23.19 65.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.463 -0.335 . . . . 3.24 111.6 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -112.78 24.54 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 2.65 111.249 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 103' ' ' ASN . 10.2 m120 60.36 37.36 20.18 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.939 -0.573 . . . . 2.0 111.91 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 40.1 t -93.86 109.65 22.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.635 -0.506 . . . . 0.99 109.635 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -92.4 134.72 34.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 4.06 110.807 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.69 129.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 1.58 110.16 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.435 ' HB3' HD23 ' A' ' 79' ' ' LEU . 3.0 tpm_? -137.11 155.82 49.14 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.865 -0.42 . . . . 3.0 109.865 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 26.2 m -116.28 135.6 53.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.86 111.122 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.14 118.47 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.716 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -118.77 -7.55 10.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.853 0.358 . . . . 1.55 110.875 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.1 p -153.06 148.5 20.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 1.52 110.78 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -45.7 -45.62 16.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.119 2.546 . . . . 1.05 113.572 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.22 -42.22 51.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.883 -0.599 . . . . 2.48 112.104 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.2 -55.34 29.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.126 -0.488 . . . . 2.7 110.568 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.75 70.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.39 . . . . 0.7 110.856 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -57.9 -47.74 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.689 -0.687 . . . . 2.33 111.503 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 117' ' ' ARG . 11.6 ptp180 -78.74 -27.94 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.884 -0.326 . . . . 3.61 111.491 -175.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -69.43 -40.16 77.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.788 0.328 . . . . 3.39 110.264 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -36.1 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.81 110.135 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -58.17 -55.53 33.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 2.76 111.311 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.96 -33.46 74.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.703 0.287 . . . . 2.57 111.109 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -66.43 -38.86 88.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.02 110.561 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -75.17 -53.86 8.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 1.4 110.364 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.578 0.704 . . . . 4.14 109.69 -177.585 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.589 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 4.3 mmp_? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.75 0.31 . . . . 3.31 111.153 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.49 113.1 25.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.532 -0.544 . . . . 1.76 109.532 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 t -116.4 135.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.749 -0.66 . . . . 0.46 110.186 -176.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 42.4 t -132.03 119.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.982 -0.377 . . . . 0.52 109.982 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 5.3 mp -105.42 116.02 31.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.818 -0.808 . . . . 1.33 108.818 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 29' ' ' SER . 0.3 OUTLIER -102.43 126.59 56.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.775 -0.648 . . . . 1.36 109.843 -173.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.08 97.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.48 -1.304 . . . . 1.37 107.48 170.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB2' HD12 ' A' ' 27' ' ' ILE . 24.0 t -116.01 141.69 47.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.72 0.771 . . . . 3.23 112.766 -165.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -78.44 -170.12 1.93 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.071 -1.422 . . . . 4.58 108.242 164.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t0 -8.01 126.37 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.996 1.435 . . . . 2.29 114.274 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.25 -13.71 5.67 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.527 0.936 . . . . 3.77 113.527 -170.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' A' ' 31' ' ' ASP . 49.1 mttp -56.36 -32.23 64.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.073 0.463 . . . . 3.23 110.381 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 81' ' ' THR . 29.9 tp -76.73 -45.1 30.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 1.39 110.399 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.6 -46.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.648 -0.706 . . . . 0.97 110.513 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 52.6 mm-40 -52.32 -62.53 1.58 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 2.42 111.426 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -56.14 -42.52 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 2.53 111.39 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.7 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.61 111.153 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -71.74 -32.09 67.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 2.73 110.883 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.3 mmtm -56.5 -50.66 71.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.056 -0.52 . . . . 2.52 111.036 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.6 mmt -74.52 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 2.61 111.272 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.5 75.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 0.75 110.891 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.9 -37.23 83.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.987 0.422 . . . . 2.57 110.322 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.06 -30.71 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 2.98 111.328 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.48 11.44 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.76 111.434 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 61.68 51.85 3.79 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.753 0.787 . . . . 2.22 110.642 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.543 HD11 ' OG ' ' A' ' 123' ' ' SER . 27.4 mt -115.47 156.21 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.574 -0.739 . . . . 1.11 109.197 175.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . 4.3 tp10 -101.03 100.03 10.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.031 -0.359 . . . . 2.13 110.031 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.6 tt -108.58 127.67 54.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 1.49 110.367 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 52' ' ' VAL . 63.0 mt -122.22 137.84 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.355 -0.839 . . . . 1.31 109.857 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.489 HG22 ' HD3' ' A' ' 53' ' ' PRO . 26.0 m -109.82 100.83 9.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.583 0.23 . . . . 1.2 110.698 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 50' ' ' ILE . 58.5 t -126.8 82.06 68.08 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 1.95 110.601 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HD3' HG22 ' A' ' 51' ' ' THR . 87.4 Cg_endo -90.23 104.14 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.483 2.122 . . . . 2.29 113.365 171.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.42 -51.04 0.2 Allowed Glycine 0 CA--C 1.506 -0.504 0 C-N-CA 119.296 -1.43 . . . . 2.14 109.723 160.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -119.22 158.26 48.93 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.917 -1.142 . . . . 1.75 107.917 157.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' ILE . 68.7 Cg_exo -56.69 -40.99 80.47 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 121.206 1.27 . . . . 1.09 110.553 168.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.92 -30.07 71.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.157 -0.929 . . . . 2.7 111.788 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.96 -44.7 94.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.947 0.404 . . . . 2.3 110.933 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.25 74.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 0.78 110.651 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' PRO . 13.3 mm -64.66 -41.41 92.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.122 0.487 . . . . 1.03 110.294 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -74.49 -30.69 61.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 3.35 110.599 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.0 tp -73.05 -30.3 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 1.22 110.196 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.44 74.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.49 110.576 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -63.02 -39.18 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.387 -0.824 . . . . 2.12 110.762 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 12.9 mm-40 -69.73 -48.97 57.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 2.21 110.718 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 HD11 ' A' ' 26' ' ' LEU . 72.1 mt -61.19 -38.99 80.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.66 111.099 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.3 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.63 111.28 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.24 -46.23 56.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.216 0.531 . . . . 2.46 110.694 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 14.6 mmmm -77.02 -17.43 58.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.621 . . . . 2.41 111.955 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.49 120.41 76.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.21 -0.292 . . . . 0.78 110.21 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.51 108.08 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.137 1.891 . . . . 1.34 112.236 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.52 -167.27 23.95 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.888 -0.673 . . . . 0.77 111.934 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.5 119.27 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.503 2.135 . . . . 0.9 111.397 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.62 137.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.264 -0.426 . . . . 1.5 110.961 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -127.83 113.86 16.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.494 -0.928 . . . . 2.58 108.494 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 10.5 t -114.51 135.31 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.216 0.531 . . . . 1.16 111.497 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 20.5 mt -115.76 142.55 46.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.965 -0.561 . . . . 1.35 109.726 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 26' ' ' LEU . 2.7 m -128.09 118.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.918 -0.583 . . . . 1.01 109.64 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.5 mt -109.41 124.44 51.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.617 -0.72 . . . . 1.37 110.469 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.1 pt -104.12 145.29 13.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.415 -0.587 . . . . 1.4 109.415 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 32.1 p -114.35 151.56 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.025 0.441 . . . . 2.07 112.016 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.13 -156.66 50.47 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.687 -0.688 . . . . 1.09 111.924 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -100.62 105.49 16.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.921 0.391 . . . . 2.22 110.554 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.29 120.64 16.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 1.13 109.716 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.34 158.5 56.74 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.455 . . . . 2.07 110.47 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -46.21 11.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.855 2.37 . . . . 1.3 112.846 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 5.7 m-20 -60.83 -35.99 77.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 2.43 111.249 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 50.7 mt-10 -81.12 -43.58 19.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.082 -0.508 . . . . 2.37 110.515 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.24 -40.73 95.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.496 -0.774 . . . . 2.81 111.192 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -62.15 -48.52 79.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 1.33 110.941 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 95.5 mttt -59.94 -41.5 91.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 2.41 110.69 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.12 70.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.78 110.718 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.74 -41.43 78.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 2.44 110.59 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -68.38 -44.8 74.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 2.85 110.38 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.16 80.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.63 110.353 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -61.15 -30.64 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.64 111.254 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.96 -48.78 28.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 2.62 110.387 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.61 -39.33 84.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 2.66 110.699 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 104' ' ' VAL . . . -79.39 -13.57 59.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.046 -0.525 . . . . 0.58 111.989 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 51.5 ttm-85 -55.92 -28.62 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 3.77 110.552 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.63 -18.3 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.681 -0.691 . . . . 3.24 111.11 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -96.98 8.2 44.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 2.65 110.938 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.4 t30 66.69 34.96 5.43 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.519 -0.764 . . . . 2.0 111.01 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 8.8 p -105.46 139.22 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.99 109.76 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.8 131.59 49.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 4.06 110.673 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.494 ' HA ' HG23 ' A' ' 78' ' ' VAL . 21.6 t -96.0 124.17 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 1.58 110.86 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.62 143.03 50.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.576 -0.528 . . . . 3.0 109.576 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 m -99.37 125.71 45.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.787 0.327 . . . . 0.86 110.509 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' THR . 31.5 m -123.87 145.63 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 1.51 110.298 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -118.3 -36.47 3.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 1.55 111.108 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -116.03 150.81 45.73 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.068 -0.515 . . . . 1.52 110.467 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.28 -32.48 88.19 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.26 2.64 . . . . 1.05 113.12 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.78 -36.03 77.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.975 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.26 -53.43 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 2.7 110.497 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.0 88.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.7 110.832 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.35 -36.07 79.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.595 . . . . 2.33 110.498 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -65.81 -50.26 65.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.651 . . . . 3.61 110.701 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -61.25 -44.68 96.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 3.39 111.206 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.64 -52.31 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.325 . . . . 0.81 111.441 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -62.71 -39.79 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 2.76 110.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.17 -47.24 80.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 2.57 110.326 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.75 -24.85 67.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 3.02 111.52 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.543 ' OG ' HD11 ' A' ' 47' ' ' LEU . 50.2 m -59.7 -36.55 76.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.183 -0.462 . . . . 1.4 111.875 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 123.474 0.709 . . . . 4.14 111.819 -178.19 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HB3' HG12 ' A' ' 74' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 121.389 0.614 . . . . 3.31 110.995 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -108.94 115.29 29.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.475 -0.784 . . . . 1.76 109.071 174.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 76' ' ' VAL . 44.3 t -107.47 133.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.778 -0.646 . . . . 0.46 110.423 -174.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 9.2 t -124.75 109.96 23.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 0.52 110.543 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.1 121.6 45.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.1 -0.5 . . . . 1.33 109.776 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.555 HG23 HG22 ' A' ' 51' ' ' THR . 6.1 tt -125.52 145.77 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 1.36 110.925 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.95 151.77 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 1.37 109.856 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 6.0 p -62.43 138.6 58.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.444 0.535 . . . . 3.23 112.444 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -156.7 -172.7 4.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.289 -1.374 . . . . 4.58 107.289 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.59 139.08 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.392 -0.596 . . . . 2.29 109.392 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -62.33 -19.03 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.842 -0.617 . . . . 3.77 112.184 -171.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -60.9 -38.08 84.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.963 0.411 . . . . 3.23 110.268 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.43 -49.19 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.759 -0.655 . . . . 1.39 110.603 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.5 -41.25 91.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.855 -0.611 . . . . 0.97 111.109 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 41.4 mt-10 -60.69 -55.15 36.73 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.121 -0.232 . . . . 2.42 111.139 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.11 -30.56 71.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.317 . . . . 2.53 111.244 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.17 88.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.61 110.266 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -64.72 -42.31 95.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 2.73 111.476 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 74.8 mmtt -57.87 -41.07 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.833 0.349 . . . . 2.52 110.448 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 116' ' ' LYS . 86.4 mmm -72.58 -38.8 67.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.907 -0.588 . . . . 2.61 111.087 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -65.74 -58.65 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.75 110.884 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.38 -23.31 66.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 2.57 110.97 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -58.16 -43.85 87.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.14 0.495 . . . . 2.98 110.672 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.01 30.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.76 110.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.09 42.58 9.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.468 -0.787 . . . . 2.22 110.884 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -92.41 145.91 24.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 176.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.42 99.68 11.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.752 0.787 . . . . 2.13 110.858 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.8 tm? -87.95 116.95 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.707 -1.133 . . . . 1.49 108.791 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG22 HG23 ' A' ' 52' ' ' VAL . 40.2 mm -129.44 135.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.909 0.385 . . . . 1.31 110.757 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.555 HG22 HG23 ' A' ' 27' ' ' ILE . 24.4 p -103.75 100.88 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.472 . . . . 1.2 110.799 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 50' ' ' ILE . 41.1 t -121.78 82.33 41.98 Favored Pre-proline 0 N--CA 1.465 0.324 0 C-N-CA 120.488 -0.485 . . . . 1.95 110.901 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HB3' ' H ' ' A' ' 29' ' ' SER . 89.0 Cg_endo -90.84 104.87 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.847 2.365 . . . . 2.29 113.885 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.76 -52.67 0.15 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.705 -1.712 . . . . 2.14 111.372 160.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.427 ' H ' ' HB2' ' A' ' 58' ' ' GLU . 36.7 m -121.55 170.76 7.02 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.956 -0.757 . . . . 1.75 108.956 164.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' ILE . 22.0 Cg_exo -63.09 -48.47 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.238 1.292 . . . . 1.09 110.348 166.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -24.49 67.74 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.809 -0.632 . . . . 2.7 111.639 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 55' ' ' SER . 7.7 tp10 -56.72 -51.14 69.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 2.3 110.57 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.03 -32.28 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.78 110.956 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 106' ' ' VAL . 6.4 mm -70.26 -44.96 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.195 0.522 . . . . 1.03 110.235 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 3.35 110.208 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -43.45 87.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.795 -0.817 . . . . 1.22 108.795 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.37 -49.19 78.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.33 -0.85 . . . . 0.49 110.834 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -47.73 78.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.528 -0.76 . . . . 2.12 110.019 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 36.2 tt0 -55.56 -52.44 63.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 2.21 111.168 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.46 -44.73 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.539 -0.301 . . . . 0.66 110.985 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.481 -0.327 . . . . 0.63 111.469 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.59 -47.69 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 2.46 110.841 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.8 mmtp -78.77 -10.75 59.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.576 . . . . 2.41 111.447 -174.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' CB ' HG11 ' A' ' 74' ' ' VAL . . . -77.97 128.41 78.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.312 -0.404 . . . . 0.78 111.066 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 9.9 Cg_exo -75.4 108.83 2.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.754 2.303 . . . . 1.34 112.216 175.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 -168.32 15.22 Favored Glycine 0 C--N 1.315 -0.597 0 CA-C-N 115.658 -0.701 . . . . 0.77 113.408 171.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.29 119.54 6.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.447 2.765 . . . . 0.9 112.506 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 22' ' ' ARG . 17.6 m -128.74 163.73 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 1.5 110.738 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -147.58 107.7 4.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.013 -0.736 . . . . 2.58 109.013 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 24' ' ' VAL . 38.5 t -100.53 127.43 53.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.092 0.472 . . . . 1.16 110.833 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 69.3 tp -108.73 117.11 33.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.636 -0.711 . . . . 1.35 109.709 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 60' ' ' ILE . 46.3 t -105.83 131.68 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 110.066 -0.346 . . . . 1.01 110.066 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.9 mt -114.26 104.34 11.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 1.37 110.735 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.07 144.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.122 -0.696 . . . . 1.4 109.122 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.0 p -71.19 157.61 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.445 -0.343 . . . . 2.07 111.903 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.98 -52.82 37.1 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.09 113.746 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -94.23 94.84 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.311 0.577 . . . . 2.22 111.365 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' A' ' 89' ' ' LYS . . . -103.72 156.64 17.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.401 -0.818 . . . . 1.13 108.806 168.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.19 142.48 87.29 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.212 -0.662 . . . . 2.07 109.212 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -38.47 -47.18 2.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.325 2.683 . . . . 1.3 113.74 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.48 -30.98 65.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.482 -0.326 . . . . 2.43 111.044 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 2.37 110.002 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 84' ' ' ALA . 30.8 mmtp -63.05 -41.98 99.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 2.81 110.298 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 m -60.15 -48.52 81.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 1.33 110.903 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.07 -41.17 86.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 2.41 111.437 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.39 75.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.78 110.763 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.88 -47.31 85.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 2.44 110.796 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.7 -47.71 80.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 2.85 110.415 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.17 -33.39 74.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.562 -0.744 . . . . 0.63 111.309 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.4 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.64 111.382 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -84.06 -26.68 28.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.62 110.706 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.84 -51.34 27.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.36 -0.382 . . . . 2.66 110.213 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.52 62.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.021 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -58.2 -27.49 63.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 3.77 111.165 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -61.86 -24.53 66.97 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.996 0.427 . . . . 3.24 111.004 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -100.07 22.19 11.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 2.65 110.445 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 65.79 26.84 11.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.572 -0.74 . . . . 2.0 111.115 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.2 t -93.89 134.36 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.493 . . . . 0.99 110.074 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -130.7 112.55 13.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.423 0.63 . . . . 4.06 110.354 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 60' ' ' ILE . 23.2 t -88.44 135.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 1.58 110.127 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -130.98 152.77 49.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.107 -0.331 . . . . 3.0 110.107 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -98.27 122.39 41.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.86 109.897 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.3 t -109.08 118.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.276 -0.42 . . . . 1.51 110.989 -177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.3 p -93.81 -23.35 18.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 1.55 112.26 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -152.07 152.81 30.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.209 -0.307 . . . . 1.52 111.15 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.56 -37.01 90.47 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.918 2.412 . . . . 1.05 113.157 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.471 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 3.3 m-20 -58.44 -46.77 85.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.038 0.446 . . . . 2.48 110.645 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.46 -37.8 87.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 2.7 109.971 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -58.32 -58.76 7.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.7 111.367 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 22.3 pttp -66.01 -22.3 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 2.33 111.508 -176.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -66.93 -54.51 21.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.046 -0.354 . . . . 3.61 110.046 175.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -68.21 -32.51 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 3.39 111.475 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.0 mt -61.99 -42.82 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.786 -0.45 . . . . 0.81 109.786 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -59.13 -42.8 91.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.166 -0.47 . . . . 2.76 110.501 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 117' ' ' ARG . 16.8 mm-40 -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.7 -0.682 . . . . 2.57 111.495 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -84.78 -22.85 29.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.317 . . . . 3.02 111.429 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.3 t -71.95 -62.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.275 -0.421 . . . . 1.4 110.902 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.258 -0.428 . . . . 4.14 110.331 -177.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.123 -0.325 . . . . 3.31 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.59 122.73 48.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.79 -0.448 . . . . 1.76 109.79 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.64 137.55 57.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.46 111.638 -172.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.729 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 15.4 t -132.03 114.67 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.52 110.169 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 66' ' ' ILE . 1.6 mm? -106.34 112.25 25.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.456 -0.942 . . . . 1.33 108.456 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 79' ' ' LEU . 32.2 pt -111.06 146.64 15.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.083 0.468 . . . . 1.36 110.916 -175.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HB ' HG22 ' A' ' 81' ' ' THR . 99.4 t -88.36 145.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.945 -0.761 . . . . 1.37 108.945 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -58.8 113.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 3.23 112.632 -171.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.638 ' HB3' HD23 ' A' ' 34' ' ' LEU . 12.0 t-20 -112.67 -170.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.719 -1.128 . . . . 4.58 108.264 174.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -45.87 140.47 3.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.111 0.482 . . . . 2.29 111.121 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -57.71 -27.47 62.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.324 -0.853 . . . . 3.77 112.322 -171.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 2.3 mptm? -63.4 -44.94 93.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 3.23 110.431 176.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 30' ' ' ASN . 50.2 tp -63.69 -42.17 98.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.771 -0.649 . . . . 1.39 110.619 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.501 HG23 HG21 ' A' ' 51' ' ' THR . 46.5 mm -51.7 -43.78 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.97 110.595 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -75.15 -49.2 20.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.621 -0.718 . . . . 2.42 111.277 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 20.8 mm-40 -65.72 -41.36 92.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.692 0.256 . . . . 2.53 111.692 -175.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.16 93.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.61 110.695 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 41.3 ttt180 -69.18 -36.35 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 2.73 110.171 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.9 mttt -62.97 -45.38 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 2.52 110.558 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.9 mmt -63.39 -36.9 85.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 2.61 110.053 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.03 94.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 0.75 111.189 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.3 mm-40 -66.33 -33.33 75.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 2.57 111.013 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -72.88 -34.16 66.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.194 -0.457 . . . . 2.98 111.17 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 5.03 44.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.76 111.696 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.97 54.98 5.6 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.347 -0.842 . . . . 2.22 110.583 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.12 141.1 40.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.599 . . . . 1.11 109.965 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.33 98.54 8.21 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.072 -0.714 . . . . 2.13 109.072 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 tt -115.41 120.49 39.75 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.31 -0.556 . . . . 1.49 110.711 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.6 mm -116.9 138.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.343 -0.844 . . . . 1.31 110.277 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.501 HG21 HG23 ' A' ' 35' ' ' ILE . 29.7 p -90.22 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.28 0.562 . . . . 1.2 110.682 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 53' ' ' PRO . 77.3 t -92.22 144.87 29.7 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.562 -0.744 . . . . 1.95 111.108 -177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.3 162.1 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.409 2.739 . . . . 2.29 111.889 167.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.75 12.39 1.05 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.738 -0.664 . . . . 2.14 114.598 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -98.27 117.5 64.76 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 117.212 0.506 . . . . 1.75 109.873 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.39 -33.89 98.23 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.824 2.349 . . . . 1.09 112.02 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.69 -46.23 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 2.7 110.892 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.51 -26.95 62.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 2.3 111.776 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -65.64 -52.46 51.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.5 -0.318 . . . . 0.78 111.718 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.83 -31.51 50.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.79 0.328 . . . . 1.03 110.869 -177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.95 -26.63 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.064 -0.254 . . . . 3.35 111.048 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -36.47 38.75 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.276 -1.009 . . . . 1.22 108.276 177.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -61.65 -44.7 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.041 -0.981 . . . . 0.49 110.686 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -55.56 -41.06 72.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.12 110.709 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.66 -55.3 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.745 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 26' ' ' LEU . 52.5 mt -65.97 -37.13 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 121.005 -0.278 . . . . 0.66 111.008 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.57 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.63 111.152 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' OE1' ' HE2' ' A' ' 69' ' ' LYS . 42.0 tt0 -71.39 -43.33 67.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 2.46 110.734 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 68' ' ' GLU . 75.3 mmtt -91.76 18.72 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 2.41 111.477 -173.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.77 131.21 42.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.31 -0.405 . . . . 0.78 110.943 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.55 108.42 1.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.298 1.999 . . . . 1.34 111.768 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.99 -154.71 23.19 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.899 -0.667 . . . . 0.77 112.106 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.99 130.24 19.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.498 2.132 . . . . 0.9 111.848 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.93 128.3 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.094 0.473 . . . . 1.5 111.018 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HD2' HD21 ' A' ' 103' ' ' ASN . 32.2 mmmt -109.31 113.8 26.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.007 -0.738 . . . . 2.58 109.007 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.7 t -111.89 134.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.34 -0.391 . . . . 1.16 111.263 -175.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 55.7 tp -125.78 130.73 52.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 1.35 110.047 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.432 ' HB ' HG12 ' A' ' 106' ' ' VAL . 59.4 t -113.46 126.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.437 -0.347 . . . . 1.01 110.366 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' CG ' HG22 ' A' ' 27' ' ' ILE . 16.3 mt -104.62 99.18 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.079 -0.341 . . . . 1.37 110.079 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 108' ' ' THR . 27.5 pt -87.02 131.93 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.422 -0.585 . . . . 1.4 109.422 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.479 HG22 ' HB ' ' A' ' 28' ' ' VAL . 12.2 t -132.18 152.56 51.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.982 0.42 . . . . 2.07 111.145 -174.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 -173.14 28.76 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.65 -0.704 . . . . 1.09 112.481 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 m -89.2 99.23 12.27 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.699 -0.482 . . . . 2.22 109.699 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.64 122.35 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.284 -0.416 . . . . 1.13 110.194 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.85 155.23 72.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.621 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -42.88 -45.07 9.09 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.824 2.349 . . . . 1.3 112.533 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 8.2 m-20 -53.9 -51.9 62.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.853 -0.612 . . . . 2.43 110.701 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.74 -30.33 66.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.579 -0.737 . . . . 2.37 111.171 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -59.23 -43.28 92.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 2.81 109.906 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.5 m -67.18 -41.07 86.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.446 -0.797 . . . . 1.33 110.461 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 29.4 mmtp -65.57 -43.46 89.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.732 -0.667 . . . . 2.41 111.609 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.621 0.248 . . . . 0.78 110.8 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -69.21 -32.15 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.059 0.457 . . . . 2.44 110.56 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -76.52 -46.23 27.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 2.85 110.4 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.44 95.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.63 110.964 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.29 70.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.381 . . . . 0.64 111.07 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.47 -47.49 72.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 2.62 110.239 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.56 -41.65 65.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.843 -0.617 . . . . 2.66 110.344 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -64.63 -24.33 67.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.844 -0.616 . . . . 0.58 111.44 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.8 -30.11 69.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 3.77 110.339 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.45 -6.77 59.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 3.24 110.509 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.84 7.95 37.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.925 -0.579 . . . . 2.65 109.711 175.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.433 HD21 ' HD2' ' A' ' 75' ' ' LYS . 56.9 t30 67.37 38.96 3.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.936 0.874 . . . . 2.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.597 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 46.2 t -109.6 137.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.139 -0.937 . . . . 0.99 110.141 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -120.98 149.8 42.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.642 0.258 . . . . 4.06 110.382 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 78' ' ' VAL . 33.8 m -122.66 141.71 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 1.58 111.145 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -140.97 147.33 38.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.369 -0.378 . . . . 3.0 110.229 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 12.0 m -97.42 130.07 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.234 0.54 . . . . 0.86 111.285 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 115' ' ' ALA . 91.2 t -105.47 125.74 60.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.444 -0.798 . . . . 1.51 109.987 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 1.55 110.54 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -148.66 147.15 23.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 1.52 110.006 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' HD22 ' A' ' 34' ' ' LEU . 66.4 Cg_exo -40.0 -50.92 3.27 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.834 3.023 . . . . 1.05 114.252 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -60.45 -30.73 69.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.322 . . . . 2.48 111.692 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.51 -38.92 88.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.062 0.458 . . . . 2.7 109.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -67.71 -48.93 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.7 111.43 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.63 -31.61 71.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 2.33 110.529 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.0 -49.19 78.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 3.61 109.985 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.87 -32.3 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 3.39 111.119 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 mm -60.63 -50.55 79.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.128 0.49 . . . . 0.81 109.948 175.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.49 -41.22 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.614 -0.721 . . . . 2.76 110.416 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.426 -0.806 . . . . 2.57 110.973 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -86.23 -36.66 19.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 3.02 111.42 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.7 t -64.06 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.393 -0.367 . . . . 1.4 111.501 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.225 0.536 . . . . 4.14 111.988 -172.185 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 121.052 0.453 . . . . 3.31 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 6.6 mp -114.73 124.14 51.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 1.76 109.737 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -113.34 128.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 0.46 111.18 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 19.8 t -112.7 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.602 -0.518 . . . . 0.52 109.602 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 50' ' ' ILE . 80.0 mt -110.77 112.11 23.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.973 0.416 . . . . 1.33 109.949 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.86 130.86 53.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.205 -173.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.9 95.84 4.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.278 -0.419 . . . . 1.37 110.943 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.413 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 8.2 t -175.26 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.091 -0.707 . . . . 3.23 109.091 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -140.95 83.58 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.367 0.603 . . . . 4.58 109.731 167.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 36.7 t70 -125.73 171.27 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.124 -0.944 . . . . 2.29 108.886 173.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 50.5 mtpt -88.31 -69.37 0.7 Allowed 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.165 -0.614 . . . . 3.77 110.814 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 22.3 pttm -59.13 -39.77 83.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 3.23 111.964 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.4 tm? -59.16 -44.77 92.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.172 0.51 . . . . 1.39 109.992 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.09 -46.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.579 -0.737 . . . . 0.97 111.454 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 22.5 mm-40 -52.67 -57.13 11.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.778 0.323 . . . . 2.42 111.584 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.9 mm-40 -61.72 -48.06 82.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.429 . . . . 2.53 111.081 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.86 98.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.388 . . . . 0.61 111.06 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.833 -0.621 . . . . 2.73 110.427 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.63 -44.81 95.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.742 -0.663 . . . . 2.52 111.31 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 25.2 mmt -62.57 -38.7 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 2.61 110.74 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.57 -51.65 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.75 110.99 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.58 -39.21 87.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.454 . . . . 2.57 110.543 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -60.83 -36.92 80.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.661 -0.699 . . . . 2.98 110.935 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.64 17.58 21.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 0.76 111.422 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 65.81 43.96 2.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.847 -0.615 . . . . 2.22 112.241 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.0 mm? -103.3 142.55 34.0 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.919 -0.4 . . . . 1.11 109.919 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.31 97.82 8.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.263 -0.643 . . . . 2.13 109.263 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.5 tt -109.19 127.09 53.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 1.49 110.406 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 26' ' ' LEU . 27.8 mt -122.62 133.11 69.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.545 -0.752 . . . . 1.31 109.822 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -81.19 115.8 20.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.2 110.18 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 53' ' ' PRO . 74.2 t -94.27 147.24 33.0 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.018 -0.537 . . . . 1.95 110.532 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.2 161.24 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.117 2.545 . . . . 2.29 111.476 165.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.33 12.79 1.7 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 114.701 0.64 . . . . 2.14 114.701 -169.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 p -110.43 134.2 20.9 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 117.451 0.626 . . . . 1.75 110.852 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.49 -25.79 20.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 123.19 2.593 . . . . 1.09 113.692 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.16 -44.06 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 2.7 110.764 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.901 -0.591 . . . . 2.3 111.149 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -62.39 -53.2 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.78 111.381 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 41.8 mt -68.74 -31.89 52.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.905 -0.589 . . . . 1.03 111.18 -174.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -72.69 -29.98 63.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.778 -0.369 . . . . 3.35 110.371 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.3 tp -72.29 -32.18 66.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.298 -0.63 . . . . 1.22 109.298 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -59.38 -41.26 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.383 174.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.79 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 2.12 110.818 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.38 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.851 -0.613 . . . . 2.21 109.873 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.68 -41.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.66 111.758 -175.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.42 -27.69 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 0.63 111.683 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.82 -22.83 36.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.471 0.653 . . . . 2.46 110.043 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -101.96 10.26 39.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.567 -0.742 . . . . 2.41 110.865 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.01 136.8 19.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 0.78 110.881 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -86.28 108.68 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.392 2.061 . . . . 1.34 112.426 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.3 -163.03 14.25 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.787 -0.72 . . . . 0.77 112.529 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.65 133.48 39.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.001 2.467 . . . . 0.9 111.759 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.51 141.57 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.276 -0.42 . . . . 1.5 110.926 -176.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.69 128.51 49.74 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.25 -1.019 . . . . 2.58 108.25 169.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 104' ' ' VAL . 32.9 t -124.11 128.88 74.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.819 0.342 . . . . 1.16 110.552 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.1 tp -120.12 120.67 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 1.35 110.299 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.29 117.64 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.851 -0.613 . . . . 1.01 110.223 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.5 99.63 10.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 1.37 110.511 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.84 110.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.893 -0.594 . . . . 1.4 109.497 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 7.8 m -88.61 124.72 34.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.824 0.345 . . . . 2.07 110.473 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.65 160.99 34.4 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.458 -0.657 . . . . 1.09 111.458 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 p -70.56 122.75 20.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.946 0.403 . . . . 2.22 110.3 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.58 123.12 26.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.13 110.675 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.89 141.28 95.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.302 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -39.68 -49.83 3.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.864 3.042 . . . . 1.3 114.141 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 2.0 p-10 -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.532 0.206 . . . . 2.43 111.127 -176.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.96 -35.26 59.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 2.37 110.675 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 89' ' ' LYS . 3.3 tmmm? -65.78 -36.81 84.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.827 -0.624 . . . . 2.81 109.625 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.4 m -66.5 -43.01 86.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 1.33 110.953 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 43.1 mtmt -64.13 -38.5 91.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.129 0.49 . . . . 2.41 110.082 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.56 77.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.731 -0.668 . . . . 0.78 109.953 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -60.7 -44.94 95.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.751 -0.659 . . . . 2.44 110.179 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -61.12 -50.58 72.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.657 -0.701 . . . . 2.85 111.113 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.55 96.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 111.308 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.93 86.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.495 -0.321 . . . . 0.64 111.425 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.8 -37.05 86.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.586 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -78.12 -20.41 52.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 2.66 110.507 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.11 31.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.58 111.677 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.23 -25.89 62.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 3.77 111.624 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -61.88 -25.12 67.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 3.24 111.71 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -113.79 31.14 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 2.65 111.11 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 59.79 40.95 18.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.671 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 76' ' ' VAL . 46.1 t -96.38 114.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.973 -0.38 . . . . 0.99 109.973 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 3.7 mpt_? -111.83 145.27 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.194 -0.457 . . . . 4.06 110.472 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.44 134.98 54.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.276 -0.42 . . . . 1.58 110.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.33 152.72 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.315 -0.402 . . . . 3.0 110.009 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 m -113.96 128.73 56.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.022 0.439 . . . . 0.86 110.829 -175.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.62 144.83 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 1.51 110.177 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 p -112.0 -13.88 13.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.338 0.59 . . . . 1.55 110.706 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 47.8 m -150.09 159.17 35.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.412 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.58 -23.05 54.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.999 2.466 . . . . 1.05 113.279 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.6 -51.67 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.682 -0.235 . . . . 2.48 111.515 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 1.8 mp0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.758 0.313 . . . . 2.7 110.295 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.11 -46.48 82.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.83 -0.623 . . . . 0.7 110.791 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 2.33 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -70.21 -46.2 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 3.61 110.923 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -63.39 -39.76 95.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 3.39 111.011 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.28 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.656 0.265 . . . . 0.81 110.435 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 2.76 110.87 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.73 -40.74 92.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.199 0.523 . . . . 2.57 109.981 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 71.9 t80 -63.92 -47.78 79.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.08 -0.963 . . . . 3.02 111.352 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 p -64.65 -31.2 72.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.238 -0.437 . . . . 1.4 111.247 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.747 0.785 . . . . 4.14 109.39 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.832 0.349 . . . . 3.31 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.22 103.62 13.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.505 -0.554 . . . . 1.76 109.505 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 25.6 t -115.79 149.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.9 -171.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.19 116.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.649 -0.25 . . . . 0.52 110.498 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 66' ' ' ILE . 5.9 mp -106.38 119.95 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.923 -0.769 . . . . 1.33 108.923 171.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.448 HG12 ' OG ' ' A' ' 29' ' ' SER . 13.4 tt -113.86 122.62 68.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.296 0.57 . . . . 1.36 111.345 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.21 99.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.536 -1.283 . . . . 1.37 107.536 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.465 ' CB ' HG12 ' A' ' 35' ' ' ILE . 3.0 m -105.66 142.35 35.55 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.377 0.88 . . . . 3.23 113.377 -163.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -79.17 -169.74 1.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.316 -1.311 . . . . 4.58 108.746 165.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -23.12 134.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.619 0.97 . . . . 2.29 113.619 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 57.2 mtpt -58.9 -17.96 28.97 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.283 1.216 . . . . 3.77 114.283 -166.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.69 -36.21 76.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.889 0.313 . . . . 3.23 110.698 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 27' ' ' ILE . 1.8 tt -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.418 -0.356 . . . . 1.39 110.262 176.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 29' ' ' SER . 43.8 mt -56.55 -44.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.7 . . . . 0.97 110.489 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 38.6 mt-10 -55.31 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 2.42 111.425 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.42 -32.29 73.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.551 -0.295 . . . . 2.53 111.756 -175.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.99 65.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.383 . . . . 0.61 110.998 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -66.98 -35.37 79.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 2.73 110.922 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.0 mttt -59.85 -37.91 80.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 2.52 110.754 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.99 -35.14 64.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 2.61 110.837 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.79 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.336 0.589 . . . . 0.75 110.247 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.31 -38.23 90.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 2.57 109.936 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -71.4 -22.96 61.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 2.98 110.488 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.17 8.7 42.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.853 -0.612 . . . . 0.76 111.323 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 59.22 38.92 23.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.518 0.675 . . . . 2.22 110.764 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.9 mt -102.48 168.03 9.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.782 -0.645 . . . . 1.11 110.351 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -109.0 101.33 10.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.069 -0.715 . . . . 2.13 109.069 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -104.93 128.49 53.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.383 0.611 . . . . 1.49 110.725 -176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.1 mt -117.14 130.0 72.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.11 -0.95 . . . . 1.31 110.074 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.8 p -101.96 99.09 9.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.163 -0.472 . . . . 1.2 111.377 -177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.69 82.16 45.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 1.95 110.326 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HB3' ' H ' ' A' ' 29' ' ' SER . 92.1 Cg_endo -90.79 102.41 0.27 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 122.136 1.89 . . . . 2.29 113.602 170.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.95 -51.89 0.14 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.161 -1.495 . . . . 2.14 111.196 158.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -119.77 163.1 29.47 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.136 -0.532 . . . . 1.75 109.577 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.92 -47.81 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 121.382 1.388 . . . . 1.09 110.706 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.01 -36.27 74.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.322 -0.854 . . . . 2.7 111.201 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.52 -56.88 15.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.3 111.576 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -59.65 -39.09 83.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.78 111.381 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.8 -35.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 1.03 110.955 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -61.41 -48.55 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 3.35 110.797 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 66' ' ' ILE . 43.0 tp -66.92 -33.17 75.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.937 -0.394 . . . . 1.22 109.937 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.04 90.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.49 110.412 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.29 -42.41 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.725 -0.67 . . . . 2.12 110.478 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.702 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.2 mt-10 -60.55 -48.22 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 2.21 111.105 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 26' ' ' LEU . 67.5 mt -60.62 -35.65 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.928 -0.309 . . . . 0.66 110.827 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -74.39 -39.95 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.63 111.164 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.84 -35.25 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 2.46 110.666 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 77.1 mttt -90.5 0.67 57.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 2.41 111.064 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.76 120.57 67.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.78 110.82 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.6 108.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.232 1.955 . . . . 1.34 112.086 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.55 15.9 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.738 -0.744 . . . . 0.77 112.668 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.78 119.94 7.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.079 2.519 . . . . 0.9 112.86 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 67' ' ' ALA . 7.1 p -140.66 139.82 34.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 1.5 110.256 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -146.34 109.51 4.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 2.58 109.811 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 3.5 p -117.77 131.83 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.323 0.583 . . . . 1.16 111.266 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -109.57 130.33 55.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.784 . . . . 1.35 110.008 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 43.4 t -107.16 129.17 61.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.675 -0.491 . . . . 1.01 109.675 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.03 128.29 54.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.409 -0.36 . . . . 1.37 111.069 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.8 mt -105.96 110.35 31.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.85 -0.796 . . . . 1.4 108.85 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 44.7 p -84.36 129.4 34.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.237 0.541 . . . . 2.07 111.578 -175.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.25 -148.65 18.79 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.585 -0.734 . . . . 1.09 111.766 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.879 -0.415 . . . . 2.22 109.879 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.37 111.92 17.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.75 0.309 . . . . 1.13 111.002 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 26.8 t70 -58.06 145.51 72.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.869 -0.605 . . . . 2.07 109.763 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 85' ' ' ASP . 20.9 Cg_exo -32.44 -47.72 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 124.428 3.419 . . . . 1.3 115.209 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.18 -48.63 72.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 2.43 111.32 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -36.13 80.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 2.37 110.379 175.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.8 -35.39 79.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 2.81 110.452 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.9 m -59.16 -48.94 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.33 110.567 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -24.03 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 2.41 111.31 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.33 79.87 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.482 -0.562 . . . . 0.78 109.482 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -79.8 -53.34 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.43 -0.805 . . . . 2.44 110.917 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.5 -52.46 63.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 2.85 111.47 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.31 71.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.508 -0.314 . . . . 0.63 111.331 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.04 -50.52 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.619 0.247 . . . . 0.64 111.282 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 37.5 mt-10 -68.47 -19.7 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 2.62 111.247 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.78 -50.61 8.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.198 0.523 . . . . 2.66 110.31 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.2 -13.69 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.016 -0.538 . . . . 0.58 112.216 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 12.7 ptm180 -59.35 -20.53 55.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.703 0.287 . . . . 3.77 111.502 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.98 -24.4 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.492 . . . . 3.24 110.51 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -101.48 18.98 18.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.779 -0.646 . . . . 2.65 109.796 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.67 29.38 8.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.933 -1.031 . . . . 2.0 110.685 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.472 HG22 ' CG1' ' A' ' 76' ' ' VAL . 61.8 t -86.28 134.61 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.583 -0.735 . . . . 0.99 109.249 174.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -135.24 136.7 41.92 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.802 0.334 . . . . 4.06 110.782 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 78' ' ' VAL . 34.2 t -118.81 126.04 74.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.135 -0.484 . . . . 1.58 110.483 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -127.22 137.39 52.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.268 -0.424 . . . . 3.0 110.568 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.7 m -94.07 116.93 29.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.86 110.306 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' THR . 7.0 m -111.45 109.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.506 0.67 . . . . 1.51 110.599 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -78.45 -14.81 59.2 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.543 -0.753 . . . . 1.55 111.032 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.9 p -136.95 156.54 75.78 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.249 -0.432 . . . . 1.52 110.689 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.67 -34.65 83.51 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.673 2.248 . . . . 1.05 112.158 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.1 -41.92 99.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 2.48 111.002 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 62.6 mm-40 -65.33 -38.36 89.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.44 -0.346 . . . . 2.7 110.765 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -58.39 -51.9 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.7 110.432 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 2.33 110.538 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 40.7 ttt180 -57.84 -56.82 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.442 -0.799 . . . . 3.61 110.87 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.456 ' O ' ' HD2' ' A' ' 122' ' ' PHE . 28.3 m95 -66.45 -36.35 82.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 3.39 111.073 -175.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.4 mt -56.17 -38.68 55.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.81 110.44 176.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.62 -44.55 42.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 2.76 110.632 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.65 -41.57 97.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.57 111.596 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.456 ' HD2' ' O ' ' A' ' 118' ' ' TRP . 70.0 m-85 -82.46 -16.26 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 3.02 112.397 -176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 p -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 1.4 110.518 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.14 110.056 177.157 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 120.716 0.293 . . . . 3.31 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 47' ' ' LEU . 84.6 mt -110.46 105.7 14.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.897 -0.592 . . . . 1.76 109.681 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 24.1 t -115.18 144.29 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.968 -176.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.97 118.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.603 0.24 . . . . 0.52 110.412 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 5.1 mp -106.33 121.05 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.405 -0.591 . . . . 1.33 109.405 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 79' ' ' LEU . 2.4 tp -106.29 121.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.143 0.497 . . . . 1.36 111.077 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -99.86 95.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.788 -0.642 . . . . 1.37 109.501 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -173.9 151.57 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 3.23 109.485 175.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -113.06 83.13 1.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.23 -0.656 . . . . 4.58 109.23 170.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.49 159.22 32.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.023 -0.99 . . . . 2.29 108.911 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -91.16 -64.73 1.09 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.327 -0.549 . . . . 3.77 110.224 174.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.31 -36.0 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.947 -0.57 . . . . 3.23 111.839 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.95 -50.13 57.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.76 -40.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.97 111.286 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 55.2 mt-10 -56.21 -54.56 43.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 2.42 110.993 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 41' ' ' MET . 24.1 tt0 -67.37 -42.0 84.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 2.53 111.228 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.068 0.461 . . . . 0.61 110.584 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 65.8 ttt180 -67.28 -42.17 84.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.788 -0.642 . . . . 2.73 110.589 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.0 mtpp -64.56 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 2.52 110.782 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.565 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 84.8 mtp -58.76 -49.96 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 2.61 110.387 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -61.42 -37.89 85.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.75 110.655 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.37 -43.71 93.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.167 -0.47 . . . . 2.57 110.941 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.95 -46.01 72.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 2.98 111.25 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.85 -0.83 52.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.176 -0.465 . . . . 0.76 111.675 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.27 35.99 12.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.803 -0.635 . . . . 2.22 111.37 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.5 mt -93.33 164.6 13.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.183 -0.673 . . . . 1.11 109.183 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.55 99.99 11.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 2.13 110.538 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.4 tm? -90.74 121.66 32.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.715 -0.675 . . . . 1.49 109.302 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.502 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 44.1 mm -120.72 117.77 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.13 -0.486 . . . . 1.31 110.323 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -95.46 98.98 10.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.224 -0.443 . . . . 1.2 111.39 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.52 81.47 35.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 1.95 110.404 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -90.43 102.27 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.226 1.951 . . . . 2.29 113.307 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.19 -51.27 0.15 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.295 -1.431 . . . . 2.14 111.156 161.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 10.7 m -119.82 160.27 43.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 108.964 -0.754 . . . . 1.75 108.964 166.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -63.28 -43.96 16.61 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.415 1.41 . . . . 1.09 111.109 170.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.04 -18.42 60.84 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.706 -0.679 . . . . 2.7 111.272 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 39.3 tt0 -61.7 -52.56 63.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 2.3 110.284 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.31 72.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 0.78 110.793 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB1' ' A' ' 95' ' ' ALA . 29.4 mm -61.95 -46.15 97.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.078 0.466 . . . . 1.03 110.257 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -66.94 -39.68 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 3.35 111.059 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.51 -32.29 71.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.789 0.328 . . . . 1.22 110.311 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.49 110.065 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 60' ' ' ILE . 78.3 mt-30 -59.49 -41.67 90.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.624 -0.716 . . . . 2.12 110.124 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 49.9 mm-40 -58.76 -55.77 30.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.627 -0.715 . . . . 2.21 110.838 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.02 -40.4 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.66 110.925 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.67 94.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.219 0.452 . . . . 0.63 112.219 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 8.1 pt-20 -81.98 -27.5 33.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.759 -0.376 . . . . 2.46 111.473 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.0 mmtp -86.08 -24.95 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.136 -0.226 . . . . 2.41 111.6 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 74' ' ' VAL . . . -74.83 122.63 87.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.766 -0.197 . . . . 0.78 110.983 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.71 108.27 1.42 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.523 2.149 . . . . 1.34 112.022 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.71 -179.0 16.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.854 -0.612 . . . . 0.77 112.044 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.44 124.71 13.74 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.914 2.409 . . . . 0.9 111.79 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 70' ' ' ALA . 19.8 t -118.19 132.88 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 1.5 110.608 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -125.83 103.09 7.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.057 -0.72 . . . . 2.58 109.057 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' A' ' 104' ' ' VAL . 2.9 p -108.84 129.4 63.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.559 0.695 . . . . 1.16 111.174 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -102.63 125.53 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.171 -0.922 . . . . 1.35 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 60' ' ' ILE . 62.4 t -100.9 115.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.493 0.663 . . . . 1.01 109.698 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 27' ' ' ILE . 12.0 tp -101.93 117.52 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.985 -1.007 . . . . 1.37 109.595 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt -116.2 110.61 32.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 1.4 110.265 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.3 m -107.43 131.14 54.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.432 -0.349 . . . . 2.07 111.235 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.09 -177.92 16.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.831 -0.7 . . . . 1.09 113.053 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -81.44 99.87 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 2.22 109.912 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 130.6 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.986 -0.552 . . . . 1.13 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -75.59 160.03 80.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 2.07 109.964 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -45.68 -49.92 10.14 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.012 2.475 . . . . 1.3 113.237 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.09 -35.87 76.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 2.43 110.804 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -61.74 -40.67 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 2.37 110.43 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 2.81 110.481 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -62.85 -45.01 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.873 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -60.92 -46.04 92.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 2.41 110.933 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.07 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.78 110.476 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -59.79 -47.9 83.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.032 -0.531 . . . . 2.44 110.682 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 24.8 ttpp -65.31 -55.45 18.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 2.85 110.639 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.656 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.694 -0.685 . . . . 0.63 111.946 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -57.32 -51.35 69.73 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.64 111.049 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.16 -41.37 94.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.994 0.426 . . . . 2.62 110.61 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 41.1 mt-10 -62.83 -41.02 99.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 2.66 110.978 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.98 34.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.512 . . . . 0.58 111.871 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 68.2 ttt180 -63.5 -11.68 25.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.404 . . . . 3.77 111.15 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -66.55 -21.4 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.203 0.525 . . . . 3.24 110.017 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -106.31 22.34 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.544 -0.753 . . . . 2.65 110.11 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 62.4 29.2 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.738 -0.664 . . . . 2.0 111.762 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.496 HG22 ' CG1' ' A' ' 76' ' ' VAL . 62.8 t -78.91 108.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.432 -0.581 . . . . 0.99 109.432 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -111.95 134.2 53.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.009 -0.541 . . . . 4.06 110.246 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.49 138.43 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.978 0.418 . . . . 1.58 111.134 -177.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.55 ' HA ' ' HE ' ' A' ' 107' ' ' ARG . 3.5 mmp_? -138.33 122.74 18.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.096 -0.502 . . . . 3.0 110.406 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.1 m -86.54 138.81 31.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 0.86 110.234 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.2 t -118.4 126.09 74.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.882 -0.599 . . . . 1.51 110.569 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -114.29 -27.24 7.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 1.55 110.587 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.3 t -128.26 140.2 37.65 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.191 -0.67 . . . . 1.52 109.191 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -54.97 -25.09 42.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.701 2.934 . . . . 1.05 114.244 -172.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.08 -26.24 62.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.614 0.245 . . . . 2.48 110.868 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.62 -44.68 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.459 -0.337 . . . . 2.7 110.562 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.439 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -57.14 -49.69 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.7 110.652 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 31.3 ttpt -63.91 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.239 -0.891 . . . . 2.33 110.649 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.0 ttm105 -74.03 -48.43 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.752 -0.658 . . . . 3.61 110.996 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.424 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 7.6 m95 -56.96 -51.16 70.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.47 -0.332 . . . . 3.39 111.077 -177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.8 mt -55.21 -47.41 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.81 111.065 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.19 -43.02 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.447 -0.342 . . . . 2.76 111.281 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.11 -38.62 85.95 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.539 -0.3 . . . . 2.57 111.312 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 47.9 m-85 -77.65 -28.23 51.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.237 -0.185 . . . . 3.02 111.374 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m -69.82 -48.05 60.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.479 -0.563 . . . . 1.4 109.479 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--O 1.235 0.294 0 CA-C-O 121.388 0.613 . . . . 4.14 111.245 173.532 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 27.8 mmt180 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.377 0.608 . . . . 3.31 110.634 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -113.24 113.89 25.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.954 -0.758 . . . . 1.76 108.954 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 66' ' ' ILE . 46.4 t -118.36 145.87 23.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.798 -0.637 . . . . 0.46 111.456 -168.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.37 122.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.271 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.04 110.96 23.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.889 -0.596 . . . . 1.33 109.705 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 tp -114.95 136.44 51.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.142 0.496 . . . . 1.36 110.403 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' HB ' ' HA2' ' A' ' 54' ' ' GLY . 32.7 m -88.57 152.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 1.37 109.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 m -69.64 146.49 51.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.956 0.725 . . . . 3.23 112.956 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.549 ' HB3' HG21 ' A' ' 81' ' ' THR . 5.2 p-10 -175.27 -170.94 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.383 -1.28 . . . . 4.58 107.617 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 33' ' ' LYS . 25.4 t70 -35.02 118.08 0.42 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.564 0.54 . . . . 2.29 111.016 174.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.27 -24.16 66.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.506 -0.77 . . . . 3.77 112.475 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 8.0 ttpm? -56.94 -48.14 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 3.23 110.326 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 30' ' ' ASN . 8.8 tt -63.24 -43.13 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.39 110.424 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.4 mt -55.42 -46.39 78.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.154 -0.476 . . . . 0.97 110.122 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.9 mt-10 -65.62 -50.58 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 2.42 111.603 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 21.5 mm-40 -63.17 -39.79 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.773 0.321 . . . . 2.53 111.145 -175.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.02 96.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.079 0.466 . . . . 0.61 110.263 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 78.7 ttt180 -64.79 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.756 -0.656 . . . . 2.73 111.077 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.6 mttp -57.7 -48.04 80.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 2.52 111.091 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -72.72 -29.78 63.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.478 -0.328 . . . . 2.61 111.15 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.2 58.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.338 -0.392 . . . . 0.75 110.306 176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.7 -27.98 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.107 -0.497 . . . . 2.57 110.25 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.97 -26.38 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.625 -0.716 . . . . 2.98 111.043 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.7 16.49 18.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.123 0.487 . . . . 0.76 110.818 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.83 49.93 13.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.086 -0.961 . . . . 2.22 111.131 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -98.71 149.47 22.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.453 -0.573 . . . . 1.11 109.453 175.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -81.3 98.82 8.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 2.13 109.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 1.6 tm? -89.16 120.56 30.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.752 -0.462 . . . . 1.49 109.752 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.52 122.81 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.137 -0.483 . . . . 1.31 110.223 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 m -98.42 128.66 44.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 1.2 110.322 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' PRO . 14.1 m -116.79 173.08 3.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.302 -0.408 . . . . 1.95 109.975 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.689 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.2 Cg_endo -47.21 159.69 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.747 2.298 . . . . 2.29 111.891 165.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -71.96 6.85 8.6 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 115.896 -0.593 . . . . 2.14 114.37 -171.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -96.36 138.49 21.52 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.372 0.586 . . . . 1.75 111.153 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -70.5 -22.84 28.14 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.166 2.577 . . . . 1.09 112.91 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.5 -50.78 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 2.7 110.65 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.53 -34.61 77.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.906 -0.588 . . . . 2.3 111.291 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.67 -54.67 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 0.78 111.178 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.74 -36.81 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.432 -0.349 . . . . 1.03 111.201 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -63.74 -31.33 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.956 -0.297 . . . . 3.35 110.847 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 66' ' ' ILE . 30.0 tp -76.85 -33.45 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.738 -0.467 . . . . 1.22 109.738 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -65.48 -29.43 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.49 110.892 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -42.78 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 2.12 109.801 172.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.38 -38.21 87.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.629 -0.714 . . . . 2.21 109.739 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 62' ' ' LEU . 50.2 mm -53.98 -58.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.7 176.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.49 70.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.63 111.174 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.34 -32.39 70.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 2.46 110.552 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -110.04 21.19 17.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.709 -0.678 . . . . 2.41 110.614 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -100.26 112.89 65.01 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.216 -0.447 . . . . 0.78 111.795 -176.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 8.8 Cg_exo -76.16 109.0 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.885 2.39 . . . . 1.34 111.782 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 -154.84 21.42 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.572 -0.74 . . . . 0.77 112.83 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.32 119.78 6.82 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.093 2.529 . . . . 0.9 111.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 7.7 p -131.49 138.04 53.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 1.5 111.347 -177.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -133.03 137.79 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.655 -0.869 . . . . 2.58 108.655 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.9 t -121.92 125.39 73.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.041 0.448 . . . . 1.16 111.059 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 ' HD2' ' A' ' 107' ' ' ARG . 66.9 tp -101.14 121.64 42.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.071 -0.513 . . . . 1.35 109.902 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.405 ' HB ' HG12 ' A' ' 106' ' ' VAL . 58.6 t -103.43 118.0 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.876 0.37 . . . . 1.01 110.619 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -98.8 114.24 26.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.208 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' THR . 11.3 pt -112.89 127.0 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.756 -0.461 . . . . 1.4 109.756 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 30' ' ' ASN . 15.1 t -101.79 143.28 31.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 2.07 111.577 -172.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.58 -166.82 54.33 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.821 -0.627 . . . . 1.09 112.063 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -102.68 110.33 22.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.848 0.356 . . . . 2.22 110.195 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 136.68 54.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.695 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.59 144.53 88.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.823 -0.626 . . . . 2.07 110.132 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -37.47 -48.93 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.595 3.53 . . . . 1.3 114.841 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.66 -50.73 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.835 0.35 . . . . 2.43 111.175 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.48 -31.13 69.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 2.37 110.497 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.32 -45.45 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.737 -0.665 . . . . 2.81 109.83 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.0 m -71.37 -40.88 70.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.76 -0.655 . . . . 1.33 110.949 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.9 -47.78 79.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.804 -0.635 . . . . 2.41 110.67 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.7 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.78 110.677 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.44 -51.1 71.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.44 110.718 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -61.99 -42.16 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 2.85 110.61 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.57 68.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.802 -0.635 . . . . 0.63 110.976 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.92 78.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.64 112.102 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.56 -38.76 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.762 -0.375 . . . . 2.62 110.818 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.38 -40.56 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.087 0.47 . . . . 2.66 110.317 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -70.49 -15.83 62.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.876 -0.602 . . . . 0.58 111.661 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -62.67 -17.29 60.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 3.77 111.08 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.36 -36.31 75.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 3.24 110.418 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -100.44 18.16 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.574 . . . . 2.65 109.724 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER 65.4 28.81 11.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.949 -1.023 . . . . 2.0 111.727 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.516 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 41.0 t -79.59 99.57 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 173.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -116.02 139.54 50.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 4.06 111.133 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' HB ' ' A' ' 78' ' ' VAL . 27.0 m -96.53 144.58 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.001 -0.545 . . . . 1.58 111.029 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HD3' ' CD2' ' A' ' 118' ' ' TRP . 98.8 mtt180 -139.14 134.83 33.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.911 -0.586 . . . . 3.0 109.716 175.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 28.0 m -89.33 125.17 35.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.973 0.416 . . . . 0.86 110.893 -177.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.5 m -118.69 131.32 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.012 -0.54 . . . . 1.51 110.721 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.1 p -113.97 -18.21 11.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.419 . . . . 1.55 111.026 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 p -135.6 152.82 76.94 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 116.096 -0.502 . . . . 1.52 110.513 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.12 -41.92 55.41 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.732 2.288 . . . . 1.05 112.912 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.51 -44.63 69.26 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.066 -0.515 . . . . 2.48 111.805 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 2.7 110.794 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.63 84.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.7 110.654 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.8 -44.69 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 2.33 110.462 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -61.48 -49.77 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.601 -0.727 . . . . 3.61 111.081 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.499 ' CD2' ' HD3' ' A' ' 107' ' ' ARG . 9.9 m95 -65.09 -42.09 94.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 3.39 111.624 -177.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.1 mt -65.83 -42.68 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.667 0.27 . . . . 0.81 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.59 -29.41 67.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.793 0.33 . . . . 2.76 110.236 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -67.78 -43.51 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.22 -0.659 . . . . 2.57 109.22 174.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.85 -23.38 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.029 -0.987 . . . . 3.02 110.406 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.1 m -76.97 -8.08 56.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.445 -0.798 . . . . 1.4 110.999 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.842 0.353 . . . . 4.14 110.755 -178.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 HH21 ' CD ' ' A' ' 48' ' ' GLU . 39.0 ttt85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.927 -0.397 . . . . 3.31 109.927 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.9 mm? -94.46 118.13 31.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.487 -0.561 . . . . 1.76 109.487 176.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 76' ' ' VAL . 41.6 t -115.02 135.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.46 109.719 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.51 124.61 71.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.904 0.383 . . . . 0.52 110.941 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.6 mm? -111.53 121.44 45.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.973 -0.558 . . . . 1.33 110.001 176.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.0 mm -113.14 121.04 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.301 -0.259 . . . . 1.36 110.301 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 80' ' ' ILE . 6.3 m -102.08 94.61 3.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.688 0.756 . . . . 1.37 110.655 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -174.76 145.5 0.88 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.224 -0.898 . . . . 3.23 109.416 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -111.06 81.62 1.46 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.712 -0.848 . . . . 4.58 108.712 166.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 30.9 t70 -125.8 131.78 52.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.364 -0.835 . . . . 2.29 109.532 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -64.92 -33.93 77.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.438 -0.347 . . . . 3.77 111.608 -176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -80.54 -56.74 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.829 -0.348 . . . . 3.23 110.898 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 38.0 tp -53.68 -50.32 66.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 1.39 111.341 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.661 HG23 HG21 ' A' ' 51' ' ' THR . 57.0 mt -60.49 -51.59 71.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.407 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 26.4 mm-40 -67.35 -42.21 83.87 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.657 -0.417 . . . . 2.42 111.801 -176.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' MET . 27.6 tt0 -66.93 -43.98 81.87 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.848 -0.341 . . . . 2.53 110.581 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.18 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.143 0.496 . . . . 0.61 109.867 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -58.81 -47.3 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.384 -0.826 . . . . 2.73 110.631 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.5 mmtp -60.42 -39.83 88.84 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.229 -0.441 . . . . 2.52 111.051 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 33.6 mmt -66.95 -51.4 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 2.61 110.609 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.8 98.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.75 111.202 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.93 -43.18 96.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 2.57 110.715 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.47 -32.4 74.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 2.98 111.071 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.31 0.41 56.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.398 -0.365 . . . . 0.76 111.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.12 40.86 21.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.449 -0.796 . . . . 2.22 111.29 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 23' ' ' LEU . 51.7 mt -99.12 175.18 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.748 -0.66 . . . . 1.11 110.251 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 22' ' ' ARG . 34.4 tt0 -110.06 111.59 23.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 2.13 110.292 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 tt -126.54 129.49 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 1.49 110.405 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.451 HD12 HD11 ' A' ' 66' ' ' ILE . 51.4 mt -121.93 130.32 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.934 -0.576 . . . . 1.31 110.268 177.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.661 HG21 HG23 ' A' ' 35' ' ' ILE . 14.3 p -93.15 137.11 32.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.219 0.533 . . . . 1.2 110.952 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 53' ' ' PRO . 40.6 t -129.98 149.75 74.02 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.282 -0.872 . . . . 1.95 109.918 -175.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.589 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.9 Cg_endo -49.14 160.43 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.822 2.348 . . . . 2.29 111.493 167.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.77 -1.78 6.88 Favored Glycine 0 C--N 1.317 -0.494 0 N-CA-C 115.503 0.961 . . . . 2.14 115.503 -166.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 5.6 p -70.15 116.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 117.731 0.766 . . . . 1.75 110.507 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 55' ' ' SER . 45.3 Cg_exo -59.93 -47.49 15.32 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.609 2.873 . . . . 1.09 114.306 -174.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' OE2' ' HE3' ' A' ' 91' ' ' LYS . 25.8 tt0 -65.55 -32.66 74.37 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.713 -0.395 . . . . 2.7 110.809 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -56.57 -46.65 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.545 . . . . 2.3 110.949 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.78 111.661 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.31 -35.63 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.082 0.468 . . . . 1.03 110.073 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -69.28 -34.55 74.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 3.35 110.151 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -43.86 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.779 -0.823 . . . . 1.22 108.779 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.6 -45.87 90.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.183 -0.917 . . . . 0.49 110.878 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.2 88.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 2.12 109.686 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -57.55 -48.09 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.701 -0.682 . . . . 2.21 110.64 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 HD12 ' A' ' 50' ' ' ILE . 69.1 mt -73.09 -43.79 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.584 -0.28 . . . . 0.66 111.751 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -67.45 -42.08 83.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.992 0.367 . . . . 0.63 111.992 -174.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.15 -29.19 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 2.46 110.424 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 3.8 mmmp? -101.11 20.17 16.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.747 -0.66 . . . . 2.41 111.11 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 130.68 42.4 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.513 -0.312 . . . . 0.78 111.247 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -86.24 108.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.613 2.208 . . . . 1.34 112.202 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.75 -166.03 22.46 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.887 -0.673 . . . . 0.77 112.366 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.59 127.18 17.48 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.845 2.363 . . . . 0.9 111.799 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.64 143.79 28.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 1.5 110.62 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 103' ' ' ASN . 45.6 mmtm -134.81 117.9 16.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.114 -0.699 . . . . 2.58 109.114 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' ALA . 21.6 t -107.04 125.38 63.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.173 0.511 . . . . 1.16 110.686 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -106.93 119.36 39.13 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.614 -0.721 . . . . 1.35 110.041 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.56 122.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.028 0.442 . . . . 1.01 110.127 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.03 105.89 16.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.703 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.58 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 20.2 pt -89.13 119.54 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.444 -0.576 . . . . 1.4 109.444 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 17.1 m -95.27 123.67 38.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 2.07 111.658 -172.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.7 -149.09 16.82 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.003 -0.617 . . . . 1.09 112.118 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 m -109.94 105.94 15.3 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.185 -0.302 . . . . 2.22 110.185 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.23 125.97 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 1.13 110.492 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.04 146.22 99.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.34 -0.615 . . . . 2.07 109.34 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -42.55 -50.94 5.45 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.259 2.639 . . . . 1.3 113.908 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.69 -39.66 64.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 2.43 110.884 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.6 -33.15 75.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 2.37 111.262 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -65.69 -42.09 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.178 -0.464 . . . . 2.81 110.176 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -72.55 -32.9 66.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.153 0.501 . . . . 1.33 110.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 44.6 tptt -61.78 -42.93 99.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.733 -0.667 . . . . 2.41 109.492 176.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.06 70.53 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.78 110.19 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 -49.83 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 2.44 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mmmm -55.84 -52.82 62.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 2.85 111.18 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.23 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.359 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.59 77.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.64 111.076 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.02 -37.83 81.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 2.62 110.574 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 46.8 mt-10 -72.75 -51.65 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 2.66 110.068 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.84 62.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.316 -0.856 . . . . 0.58 111.79 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -53.04 -34.44 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 3.77 110.898 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -71.7 -11.12 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 3.24 111.189 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -113.82 19.09 16.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.445 . . . . 2.65 110.594 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 11.6 m120 66.24 46.86 1.94 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.38 -0.827 . . . . 2.0 112.203 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.6 t -103.16 106.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.182 0.515 . . . . 0.99 109.774 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -106.26 108.55 20.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.769 -0.65 . . . . 4.06 110.665 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.26 134.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.493 . . . . 1.58 110.605 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -144.45 153.24 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 3.0 110.095 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.439 ' HA ' HG13 ' A' ' 80' ' ' ILE . 27.6 m -87.22 128.18 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.128 -0.487 . . . . 0.86 111.954 -175.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 81' ' ' THR . 12.9 p -122.38 141.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.095 -0.502 . . . . 1.51 110.299 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 p -120.32 -29.57 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.879 0.371 . . . . 1.55 111.643 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -122.13 141.44 34.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 1.52 110.318 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 51.2 Cg_exo -54.26 -36.37 86.22 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.187 2.591 . . . . 1.05 113.156 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -62.57 -29.24 70.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.583 -0.28 . . . . 2.48 111.253 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.527 ' HB2' HG23 ' A' ' 109' ' ' VAL . 48.0 mt-10 -65.57 -55.89 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.007 -0.368 . . . . 2.7 110.007 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.53 79.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.907 -0.588 . . . . 0.7 110.317 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.555 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 58.9 tttm -56.66 -34.65 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.339 -0.846 . . . . 2.33 111.206 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -76.86 -45.07 29.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 3.61 110.629 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.467 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 6.7 m95 -62.59 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 3.39 110.971 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.34 -44.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.81 110.278 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.01 -38.73 89.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 2.76 110.732 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.33 -42.64 91.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.82 -0.627 . . . . 2.57 110.247 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 50.0 m-85 -77.23 -26.37 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 3.02 111.498 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.8 m -71.96 -54.19 10.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.945 0.403 . . . . 1.4 111.498 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 4.14 110.925 -174.004 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.353 0.597 . . . . 3.31 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB3' HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -108.55 113.98 27.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.242 -0.89 . . . . 1.76 108.911 -177.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 14.0 t -110.56 131.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.537 -0.302 . . . . 0.46 110.751 -176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.03 106.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.509 . . . . 0.52 110.415 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.611 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.8 mp -106.45 109.78 21.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.159 -0.682 . . . . 1.33 109.159 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tt -110.61 145.25 17.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 1.36 110.613 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t -88.33 152.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.072 -0.714 . . . . 1.37 109.072 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.576 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 12.8 t -59.38 139.19 57.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.289 0.566 . . . . 3.23 111.999 -170.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -152.92 -170.18 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.486 -1.302 . . . . 4.58 107.486 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.0 156.17 7.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.553 0.615 . . . . 2.29 111.905 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.647 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 3.4 mppt? -55.0 -42.53 72.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 3.77 110.823 -175.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -60.08 -40.7 90.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 3.23 111.39 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.66 -49.48 46.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.525 -0.307 . . . . 1.39 110.959 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.69 -46.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.403 . . . . 0.97 110.167 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.1 mm-40 -67.79 -44.25 77.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 2.42 111.66 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.55 -46.69 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.517 -0.473 . . . . 2.53 110.848 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.56 73.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.396 0.617 . . . . 0.61 110.338 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 60.4 ttt180 -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.363 -0.835 . . . . 2.73 111.012 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.5 mttm -59.8 -42.79 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 2.52 110.695 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 83.9 mtp -61.33 -43.7 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.61 110.297 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.35 95.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 0.75 110.837 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.46 -37.77 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 2.57 110.904 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.45 -42.01 59.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 2.98 111.325 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.86 6.14 49.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.816 0.302 . . . . 0.76 111.816 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 64.3 41.02 6.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.97 -0.559 . . . . 2.22 111.25 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 23' ' ' LEU . 19.0 mt -95.83 150.77 20.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 1.11 110.099 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 tp10 -81.58 98.79 8.49 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.625 -0.509 . . . . 2.13 109.625 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.4 113.29 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.542 -0.54 . . . . 1.49 109.542 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 42.5 mm -121.74 127.21 75.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 1.31 110.217 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -111.04 99.7 8.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.339 -0.391 . . . . 1.2 110.823 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 50' ' ' ILE . 50.7 t -127.62 80.52 71.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.307 0.575 . . . . 1.95 110.361 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HB3' ' H ' ' A' ' 29' ' ' SER . 90.8 Cg_endo -91.7 106.27 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.317 2.678 . . . . 2.29 114.621 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.87 -53.19 0.16 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 118.738 -1.696 . . . . 2.14 110.527 158.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.616 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 58.2 m -119.94 174.32 2.97 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 107.844 -1.169 . . . . 1.75 107.844 158.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.97 -32.7 98.01 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 121.402 1.401 . . . . 1.09 111.629 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.616 ' OE2' ' HB2' ' A' ' 55' ' ' SER . 0.1 OUTLIER -73.92 -18.91 60.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.84 -0.618 . . . . 2.7 112.434 -176.259 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.66 -40.07 88.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.204 0.526 . . . . 2.3 110.014 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -70.67 -38.26 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.581 -0.736 . . . . 0.78 110.304 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 44.3 mt -68.52 -35.35 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 1.03 111.288 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.568 HH22 ' HB2' ' A' ' 98' ' ' GLU . 5.1 tpm_? -68.28 -38.76 82.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.006 -0.543 . . . . 3.35 110.261 -178.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -77.93 -26.4 48.94 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.396 -0.594 . . . . 1.22 109.396 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -55.54 -43.35 75.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.408 -0.814 . . . . 0.49 110.547 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.63 -41.83 95.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.211 -0.45 . . . . 2.12 110.81 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.58 -51.79 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 2.21 110.857 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.98 -37.27 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 0.66 110.995 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -68.99 -39.92 79.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.125 0.488 . . . . 0.63 111.029 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.63 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.565 -0.743 . . . . 2.46 110.6 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -94.95 21.19 7.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 2.41 110.961 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -99.25 117.92 63.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 0.78 110.775 178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 12.5 Cg_exo -72.98 108.01 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.325 2.016 . . . . 1.34 111.856 176.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.89 -147.08 18.51 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.562 -0.745 . . . . 0.77 112.458 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.79 134.41 34.79 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.999 2.466 . . . . 0.9 112.031 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.28 138.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 1.5 111.134 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 23' ' ' LEU . 98.8 mttt -126.74 111.73 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.58 109.332 175.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 67' ' ' ALA . 59.7 t -109.45 126.79 66.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.004 0.431 . . . . 1.16 111.177 -177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 122' ' ' PHE . 67.2 tp -118.66 131.01 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.768 -0.651 . . . . 1.35 110.497 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.04 125.35 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.441 . . . . 1.01 109.984 175.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 109' ' ' VAL . 3.5 mm? -104.01 100.27 10.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.014 -0.539 . . . . 1.37 110.727 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.2 mt -84.34 99.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 1.4 109.334 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -76.44 133.12 39.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.161 -0.472 . . . . 2.07 111.806 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.05 -164.61 48.26 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 121.018 -0.611 . . . . 1.09 112.575 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 p -83.79 126.9 33.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.727 0.299 . . . . 2.22 110.714 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.27 123.87 28.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.898 -0.408 . . . . 1.13 109.898 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.19 150.51 84.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 2.07 110.402 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.42 -51.27 8.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.388 2.726 . . . . 1.3 113.713 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -75.83 -32.14 59.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.834 0.35 . . . . 2.43 110.913 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.83 -33.98 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.917 -0.583 . . . . 2.37 109.967 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -68.64 -33.58 74.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 2.81 110.115 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -69.82 -42.0 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.464 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 74.2 mmtt -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 2.41 110.216 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.52 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.551 -0.75 . . . . 0.78 110.505 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.99 -50.9 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 2.44 110.248 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -65.23 -41.63 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.881 -0.599 . . . . 2.85 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . . . -61.74 -49.27 77.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.62 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.64 111.685 -177.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -43.01 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.348 0.594 . . . . 2.62 109.991 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' HH22 ' A' ' 61' ' ' ARG . 7.4 mm-40 -77.94 -32.08 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 2.66 111.166 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.47 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -74.85 -29.54 61.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.58 111.739 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 44.7 mtm180 -64.23 -21.29 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 3.77 110.563 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -71.25 -13.77 62.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.84 -0.618 . . . . 3.24 110.381 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -119.72 22.91 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 2.65 111.016 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.438 HD22 ' N ' ' A' ' 103' ' ' ASN . 1.0 OUTLIER 69.44 31.39 3.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.764 -0.653 . . . . 2.0 112.244 177.086 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.47 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 58.8 t -96.31 133.08 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.399 . . . . 0.99 109.921 175.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -120.7 132.09 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.381 -0.372 . . . . 4.06 110.329 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.52 141.38 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.304 -0.407 . . . . 1.58 110.106 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.496 ' HD3' ' CD1' ' A' ' 118' ' ' TRP . 99.5 mtt180 -142.44 130.71 22.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.395 -0.366 . . . . 3.0 110.293 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.0 m -82.99 122.55 28.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 0.86 110.403 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -99.41 109.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.183 -0.462 . . . . 1.51 110.677 -174.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 p -84.61 -38.42 19.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.152 -0.476 . . . . 1.55 111.879 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -122.88 132.9 24.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.383 -0.371 . . . . 1.52 110.795 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.22 -35.99 82.44 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.452 2.768 . . . . 1.05 113.271 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 29.2 t70 -65.81 -38.46 89.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.421 0.629 . . . . 2.48 110.315 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 2.7 tp10 -73.9 -22.96 59.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.315 -0.857 . . . . 2.7 110.325 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -57.67 -39.62 77.5 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.151 0.501 . . . . 0.7 110.017 173.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 113' ' ' ASP . 21.8 ttpp -54.61 -46.65 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 2.33 110.492 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 117' ' ' ARG . 23.7 ttm-85 -65.08 -45.74 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 3.61 110.456 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.496 ' CD1' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -52.72 -45.71 67.06 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.865 -0.607 . . . . 3.39 111.681 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.91 -46.18 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.911 0.386 . . . . 0.81 110.492 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.49 -42.18 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 2.76 111.027 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.95 -42.38 90.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.406 . . . . 2.57 111.472 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 77' ' ' LEU . 36.0 t80 -75.78 -34.7 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.897 0.379 . . . . 3.02 111.334 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.9 t -78.04 -29.38 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.463 -0.335 . . . . 1.4 111.083 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 4.14 111.266 -175.448 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.873 0.368 . . . . 3.31 110.57 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.08 116.4 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.91 0.386 . . . . 1.76 110.018 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.502 HG11 HG21 ' A' ' 66' ' ' ILE . 48.3 t -120.22 138.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.034 -0.53 . . . . 0.46 110.833 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.47 124.22 54.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.269 -0.423 . . . . 0.52 110.619 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 66' ' ' ILE . 5.6 mp -113.09 138.43 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.051 -0.722 . . . . 1.33 109.051 171.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.27 128.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.928 -0.397 . . . . 1.36 109.928 -176.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.98 95.34 3.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.691 -0.232 . . . . 1.37 110.614 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.521 ' OG ' ' HB ' ' A' ' 81' ' ' THR . 49.1 m -171.21 158.8 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.482 ' HA ' HD11 ' A' ' 35' ' ' ILE . 23.8 t-20 -127.92 81.54 2.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.881 -0.728 . . . . 4.58 109.481 168.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 31.1 t70 -127.28 123.1 35.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.764 -1.107 . . . . 2.29 108.832 171.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.65 -27.41 69.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.721 0.296 . . . . 3.77 111.691 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' OD2' ' A' ' 31' ' ' ASP . 6.1 ttpm? -77.33 -53.99 7.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 3.23 110.527 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 43.7 tp -59.17 -53.55 57.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.39 111.971 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 30' ' ' ASN . 65.3 mt -58.22 -44.81 88.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.618 -0.265 . . . . 0.97 111.351 -174.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.6 mm-40 -66.68 -48.17 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 2.42 111.064 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.64 -41.11 89.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.864 0.364 . . . . 2.53 110.549 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.3 97.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.61 110.743 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 2.73 110.474 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.6 mmtp -56.28 -45.9 79.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.643 -0.503 . . . . 2.52 109.643 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.5 mmm -63.94 -43.05 97.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 2.61 111.359 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -60.31 -39.53 87.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.721 -0.218 . . . . 0.75 111.026 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -67.85 -36.04 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.574 0.226 . . . . 2.57 110.889 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.6 mttm -66.48 -40.68 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 2.98 110.918 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.02 9.45 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.76 112.147 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 55.93 41.74 29.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.966 -0.561 . . . . 2.22 112.182 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD11 ' OG ' ' A' ' 123' ' ' SER . 57.8 mt -98.24 152.41 19.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.526 . . . . 1.11 110.223 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.19 99.41 12.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.995 -0.743 . . . . 2.13 108.995 172.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 42' ' ' ALA . 1.4 tt -95.99 119.1 33.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.537 -0.542 . . . . 1.49 109.537 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 HD13 ' A' ' 66' ' ' ILE . 50.3 mt -111.48 112.21 39.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.728 -0.669 . . . . 1.31 110.101 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -89.05 98.41 11.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.64 -0.709 . . . . 1.2 110.804 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.5 82.51 51.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 1.95 110.668 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.2 102.74 0.31 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.245 1.964 . . . . 2.29 112.587 166.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.59 -51.49 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.002 -1.571 . . . . 2.14 111.117 162.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 38.5 m -118.64 156.73 51.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.263 -0.643 . . . . 1.75 109.263 166.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 60' ' ' ILE . 53.8 Cg_exo -56.07 -52.5 7.16 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.685 1.59 . . . . 1.09 111.061 169.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.58 -23.73 66.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.554 -0.748 . . . . 2.7 111.713 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 21.4 tt0 -59.59 -54.34 47.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.618 -0.264 . . . . 2.3 111.593 -174.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.748 -0.205 . . . . 0.78 110.944 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 56' ' ' PRO . 24.9 mm -61.56 -49.18 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.47 0.652 . . . . 1.03 110.164 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -66.94 -37.26 83.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.312 -0.858 . . . . 3.35 110.533 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.74 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 1.22 110.695 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.4 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.49 110.817 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.673 HE22 ' HG3' ' A' ' 98' ' ' GLU . 34.2 tt0 -64.42 -41.44 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.763 -0.653 . . . . 2.12 110.721 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.22 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 2.21 110.233 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD12 ' A' ' 50' ' ' ILE . 67.2 mt -62.99 -35.34 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.66 110.941 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -66.28 -44.12 84.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.63 111.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.18 -30.99 71.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.973 -0.558 . . . . 2.46 110.563 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -95.55 10.22 37.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.441 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.72 42.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.78 110.834 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.09 107.0 1.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 121.91 1.74 . . . . 1.34 112.108 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.92 -128.93 12.44 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.664 -0.698 . . . . 0.77 112.975 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.51 129.4 17.8 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.727 2.285 . . . . 0.9 112.365 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 67' ' ' ALA . 9.6 p -136.31 143.83 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.479 . . . . 1.5 110.676 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -137.91 107.82 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.229 -0.656 . . . . 2.58 109.229 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 104' ' ' VAL . 13.9 t -107.97 140.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 1.16 111.452 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 105' ' ' ARG . 61.2 tp -128.2 133.12 48.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.732 -0.667 . . . . 1.35 109.852 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 60' ' ' ILE . 21.8 t -116.8 129.58 73.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.982 0.42 . . . . 1.01 110.329 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.0 mm? -108.69 119.82 40.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.685 -0.689 . . . . 1.37 110.525 -177.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' THR . 4.4 mp -113.41 99.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.592 -0.521 . . . . 1.4 109.592 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.521 ' HB ' ' OG ' ' A' ' 29' ' ' SER . 11.8 m -86.78 132.57 33.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.765 0.317 . . . . 2.07 110.719 -178.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.78 -163.34 12.33 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.872 -0.68 . . . . 1.09 111.965 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.3 m -110.84 105.04 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.84 0.352 . . . . 2.22 110.838 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.71 128.37 35.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.181 -0.463 . . . . 1.13 110.542 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.28 140.15 97.66 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 2.07 110.525 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -41.11 -49.35 4.65 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.762 2.974 . . . . 1.3 113.9 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 2.0 m-20 -56.2 -53.81 52.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.78 0.324 . . . . 2.43 111.114 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.6 -31.07 68.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 2.37 111.027 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.54 -25.2 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.155 0.503 . . . . 2.81 110.079 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.8 m -84.21 -35.75 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 1.33 110.11 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 75.5 mmtt -63.9 -46.83 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.489 . . . . 2.41 110.183 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.692 -0.685 . . . . 0.78 110.241 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.9 -51.12 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.094 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 2.2 tmtp? -61.02 -43.55 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 2.85 109.873 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.03 84.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.63 110.876 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.82 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.64 111.309 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.6 -31.86 72.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.976 0.417 . . . . 2.62 110.563 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.673 ' HG3' HE22 ' A' ' 64' ' ' GLN . 16.5 tp10 -72.17 -35.28 68.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.944 -0.571 . . . . 2.66 110.174 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.88 -13.65 47.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.58 111.448 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.39 -38.89 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 3.77 111.634 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -74.11 -4.01 33.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 3.24 111.59 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -103.16 20.72 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.996 0.427 . . . . 2.65 110.081 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.08 34.86 16.17 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.315 -0.857 . . . . 2.0 110.499 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 76' ' ' VAL . 54.8 t -101.69 131.99 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.611 -0.722 . . . . 0.99 110.292 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' O ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmm180 -119.53 133.2 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.389 -0.369 . . . . 4.06 110.14 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' ILE . 13.5 m -123.16 134.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.174 -0.466 . . . . 1.58 110.048 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -151.01 147.61 27.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 3.0 111.834 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 94.5 m -82.5 135.79 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.86 110.466 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.92 129.42 57.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.888 -0.596 . . . . 1.51 110.043 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -85.48 -31.12 22.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 1.55 111.372 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -161.7 145.89 9.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.342 -0.614 . . . . 1.52 109.342 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -40.49 -40.1 3.08 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.435 2.757 . . . . 1.05 113.732 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.69 -41.56 43.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.62 -0.718 . . . . 2.48 111.411 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.65 -45.25 75.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.778 -0.646 . . . . 2.7 110.341 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.43 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.7 110.552 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.16 -38.38 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.598 -0.728 . . . . 2.33 109.824 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.26 -46.03 90.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.589 . . . . 3.61 110.852 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -66.02 -39.84 90.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.398 -0.365 . . . . 3.39 111.107 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 -41.82 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.991 0.424 . . . . 0.81 110.095 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.6 -48.19 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.76 111.038 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.15 -42.82 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 2.57 111.868 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.45 -29.88 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.571 0.224 . . . . 3.02 111.36 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 47' ' ' LEU . 14.5 m -81.39 -43.98 18.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.061 0.458 . . . . 1.4 109.867 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.529 0.17 0 CA-C-N 114.687 -1.142 . . . . 4.14 111.728 177.297 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' HB2' HG12 ' A' ' 74' ' ' VAL . 28.0 mmm180 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.919 0.39 . . . . 3.31 110.217 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.524 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.7 mm? -89.87 130.94 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.2 -0.455 . . . . 1.76 110.275 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.47 127.03 69.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.46 110.403 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 60.4 t -116.24 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.222 -0.445 . . . . 0.52 110.126 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' ' 50' ' ' ILE . 64.7 mt -119.13 109.53 15.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.341 0.591 . . . . 1.33 109.897 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -107.31 128.01 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.34 -0.846 . . . . 1.36 111.099 -171.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -109.45 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.18 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.422 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 5.6 t -174.23 140.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.857 -0.794 . . . . 3.23 108.857 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.05 83.25 1.96 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.878 -0.729 . . . . 4.58 109.687 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 3.5 m-20 -125.16 166.75 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.011 -0.995 . . . . 2.29 109.607 175.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -91.83 -69.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.581 -0.448 . . . . 3.77 110.812 174.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.92 -22.7 66.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.203 0.445 . . . . 3.23 112.203 -172.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -80.02 -33.49 39.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.752 -0.462 . . . . 1.39 109.752 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 31' ' ' ASP . 1.8 mp -87.17 -47.76 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.97 111.093 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.3 mt-10 -58.32 -51.01 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 2.42 111.437 -177.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -36.61 79.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.45 -0.341 . . . . 2.53 111.223 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.68 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.61 110.106 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.45 -48.32 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.423 -0.808 . . . . 2.73 110.838 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.2 mttp -60.43 -52.49 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 2.52 110.951 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.6 mmm -60.49 -36.17 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 2.61 111.278 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.42 59.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.75 111.913 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.03 -32.14 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.595 -0.442 . . . . 2.57 110.909 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -76.21 -19.42 58.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 2.98 110.625 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.59 10.66 39.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.76 110.771 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 61.01 43.95 10.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.581 -0.736 . . . . 2.22 111.324 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 23' ' ' LEU . 37.5 mt -109.89 155.79 21.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.11 109.967 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -99.61 99.23 10.06 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.344 -0.613 . . . . 2.13 109.344 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.2 tt -111.64 128.09 55.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.087 0.47 . . . . 1.49 110.773 -176.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.8 mt -123.18 133.21 69.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.781 . . . . 1.31 110.093 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.2 p -82.65 110.37 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.134 0.492 . . . . 1.2 110.208 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 53' ' ' PRO . 62.9 t -87.33 145.55 37.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 1.95 111.067 -175.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.572 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.0 Cg_endo -49.99 161.32 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.021 2.481 . . . . 2.29 111.564 168.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.64 12.46 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 115.554 0.982 . . . . 2.14 115.554 -167.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' GLU . 36.9 m -104.7 134.01 19.88 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 118.063 0.931 . . . . 1.75 110.399 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.46 ' HG3' ' HB3' ' A' ' 88' ' ' GLU . 71.5 Cg_endo -71.68 -36.96 5.77 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.038 2.492 . . . . 1.09 113.248 -173.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.07 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 2.7 110.977 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 8.7 mm-40 -61.01 -43.67 98.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 2.3 110.349 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.52 83.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.78 111.023 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.588 HG21 ' HB1' ' A' ' 95' ' ' ALA . 30.0 mm -65.48 -48.83 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.274 0.559 . . . . 1.03 110.575 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -76.9 -14.6 59.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 3.35 111.029 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -77.43 -42.44 36.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.439 -0.949 . . . . 1.22 108.439 171.641 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.49 110.5 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -57.5 -37.06 72.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.617 -0.719 . . . . 2.12 110.761 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -73.86 -33.72 64.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 2.21 110.626 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -85.52 -52.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.443 -0.344 . . . . 0.66 111.912 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.81 87.38 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.8 0.667 . . . . 0.63 112.8 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.21 -35.45 77.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.085 0.469 . . . . 2.46 110.764 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -85.82 2.42 45.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.37 -0.377 . . . . 2.41 111.399 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.83 118.44 66.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.493 -0.322 . . . . 0.78 110.765 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -82.56 108.67 1.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.199 1.932 . . . . 1.34 111.584 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.25 -174.68 19.89 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.77 111.91 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -72.43 118.89 5.81 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.787 2.325 . . . . 0.9 111.794 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 22' ' ' ARG . 3.7 m -144.53 144.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.166 0.507 . . . . 1.5 111.448 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -143.28 140.17 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 2.58 108.948 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 139.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.365 -0.38 . . . . 1.16 110.76 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.21 121.37 44.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.317 -0.623 . . . . 1.35 109.317 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 106' ' ' VAL . 86.1 t -103.7 122.88 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.011 0.434 . . . . 1.01 110.095 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.635 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.2 mm? -115.1 108.35 16.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.763 -0.653 . . . . 1.37 111.177 -174.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.4 121.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.019 -0.734 . . . . 1.4 109.019 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 29' ' ' SER . 8.6 m -106.88 128.5 54.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.321 -0.399 . . . . 2.07 110.711 -175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.0 -158.03 15.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.745 -0.741 . . . . 1.09 111.903 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -92.93 127.22 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.338 -0.245 . . . . 2.22 110.338 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.02 128.82 39.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 1.13 110.897 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.91 135.79 96.45 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 2.07 109.967 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.51 -50.31 4.73 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.444 2.763 . . . . 1.3 113.967 -175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.07 -44.65 72.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.857 0.361 . . . . 2.43 110.658 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HB3' ' HG3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -64.98 -36.52 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 2.37 110.856 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.22 -0.445 . . . . 2.81 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.6 m -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.808 -0.633 . . . . 1.33 110.502 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -64.11 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 2.41 111.281 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . . . -69.06 -46.49 67.71 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.154 -0.476 . . . . 0.78 110.198 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 20.0 pttp -73.07 -31.95 64.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.116 -0.493 . . . . 2.44 110.772 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -50.16 64.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 2.85 109.843 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.588 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.22 -31.89 72.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.63 110.451 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.64 111.402 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 41.6 mt-10 -69.89 -22.14 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 2.62 111.153 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.191 0.52 . . . . 2.66 109.837 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.65 62.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 0.58 112.468 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -16.02 60.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 3.77 111.03 -179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -60.94 -33.67 73.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.19 0.519 . . . . 3.24 110.397 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.33 20.38 11.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 2.65 110.191 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 63.46 38.91 9.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.31 -0.859 . . . . 2.0 111.283 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.81 114.11 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 0.99 110.034 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -107.36 131.34 54.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.163 -0.472 . . . . 4.06 110.21 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 78' ' ' VAL . 19.0 t -117.08 130.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.392 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.87 158.13 43.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.94 0.4 . . . . 3.0 111.199 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.2 m -101.54 128.91 47.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.613 -0.721 . . . . 0.86 110.624 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 m -114.59 141.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.997 0.427 . . . . 1.51 110.155 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -113.69 -22.95 9.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.125 -0.489 . . . . 1.55 111.595 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.0 p -126.79 146.82 58.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 1.52 111.178 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.62 -23.24 74.65 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.934 2.423 . . . . 1.05 111.569 173.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 6.0 m-20 -63.37 -47.01 83.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.845 -0.616 . . . . 2.48 109.845 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.22 -37.56 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.274 -0.875 . . . . 2.7 109.613 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.804 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -56.96 -53.23 60.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.291 -0.868 . . . . 0.7 111.95 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 23.1 pttp -65.53 -20.34 66.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.677 0.275 . . . . 2.33 111.445 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.35 -48.12 14.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.072 -0.251 . . . . 3.61 111.385 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.804 ' NE1' ' HA ' ' A' ' 115' ' ' ALA . 29.5 p-90 -66.53 -26.5 67.17 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.839 -0.744 . . . . 3.39 110.933 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 115' ' ' ALA . 69.5 mt -60.04 -55.58 23.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.707 0.289 . . . . 0.81 110.842 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.33 -35.45 79.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 2.76 110.706 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.06 -26.58 61.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.57 111.095 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -90.5 -18.9 24.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 3.02 110.878 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.425 ' HA ' HD21 ' A' ' 47' ' ' LEU . 34.7 t -69.97 -34.93 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 1.4 110.935 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.408 -0.36 . . . . 4.14 110.226 179.606 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 2.1 mmp_? . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.426 -0.583 . . . . 3.31 109.426 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.2 mt -89.27 99.5 12.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.516 . . . . 1.76 109.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.04 131.69 49.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 0.46 110.71 -176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.2 t -119.33 133.75 65.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.782 -0.644 . . . . 0.52 109.407 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -121.63 133.41 54.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.159 -0.312 . . . . 1.33 110.159 178.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -124.02 140.48 47.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.983 0.421 . . . . 1.36 110.471 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.04 135.14 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 1.37 110.263 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.5 m -59.91 139.63 57.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.316 0.579 . . . . 3.23 111.715 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.543 ' H ' HD11 ' A' ' 35' ' ' ILE . 60.5 t30 -172.07 -172.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.644 -1.243 . . . . 4.58 107.644 -174.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -41.75 133.93 2.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.101 0.477 . . . . 2.29 110.602 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -22.58 63.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 3.77 112.918 -170.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -67.54 -37.6 82.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.943 0.401 . . . . 3.23 110.28 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD22 ' A' ' 30' ' ' ASN . 6.9 tp -70.07 -45.83 66.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 1.39 110.36 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' H ' ' A' ' 30' ' ' ASN . 65.5 mt -61.32 -41.53 90.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.661 -0.7 . . . . 0.97 110.281 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.45 -40.45 89.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.535 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 13.5 tp10 -60.4 -47.46 85.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 2.53 110.214 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.99 94.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.494 . . . . 0.61 110.588 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 39' ' ' ARG . 43.8 ttm180 -58.73 -52.85 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 2.73 110.862 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 50.6 mtmt -48.33 -52.93 19.31 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.555 0.534 . . . . 2.52 111.688 177.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.28 -42.89 65.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.195 -0.457 . . . . 2.61 112.024 -173.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.45 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.694 0.283 . . . . 0.75 111.028 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -38.34 83.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.352 -0.385 . . . . 2.57 110.882 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.69 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 2.98 110.577 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.67 2.26 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.76 111.191 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 66.18 33.05 7.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.851 -0.613 . . . . 2.22 111.509 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.51 145.06 24.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.947 -0.57 . . . . 1.11 109.544 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.54 99.45 10.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.026 0.441 . . . . 2.13 110.028 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 59.7 tp -97.85 127.47 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.49 111.537 -175.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.97 129.84 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 1.31 109.771 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.3 p -88.05 128.14 35.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.461 . . . . 1.2 111.023 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 53' ' ' PRO . 19.4 t -114.76 146.68 36.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 1.95 110.606 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.562 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.8 Cg_endo -48.37 160.44 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.245 2.63 . . . . 2.29 112.312 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.23 -4.78 31.28 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.359 -0.837 . . . . 2.14 114.801 -169.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 m -90.18 118.74 69.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 117.478 0.639 . . . . 1.75 110.711 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 60' ' ' ILE . 77.9 Cg_exo -54.51 -26.85 47.19 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.526 2.817 . . . . 1.09 112.809 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.12 -48.54 64.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.456 -0.793 . . . . 2.7 111.089 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -81.09 -27.43 35.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.657 . . . . 2.3 111.375 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -58.4 -52.14 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.987 0.422 . . . . 0.78 111.187 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 56' ' ' PRO . 5.5 mm -70.43 -36.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 1.03 110.485 -176.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 -69.34 -30.58 68.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 3.35 110.437 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -72.69 -43.12 63.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.383 -0.599 . . . . 1.22 109.383 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.43 81.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.49 111.232 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.61 -37.98 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 2.12 110.689 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.35 -49.48 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 2.21 110.596 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.92 -42.45 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 120.909 -0.317 . . . . 0.66 111.147 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -66.64 -34.88 78.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.946 0.403 . . . . 0.63 111.389 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -71.21 -38.38 72.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 2.46 110.467 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -96.67 20.08 11.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.947 -0.569 . . . . 2.41 111.425 -175.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.38 120.92 55.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.274 -0.421 . . . . 0.78 111.009 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.24 107.96 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.184 1.922 . . . . 1.34 111.86 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.27 -171.3 13.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.994 -0.622 . . . . 0.77 111.801 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.76 119.56 6.6 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.487 2.125 . . . . 0.9 111.553 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.22 143.17 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.99 0.424 . . . . 1.5 111.278 -175.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -150.6 127.31 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.348 -0.612 . . . . 2.58 109.348 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 t -111.19 139.73 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.047 0.451 . . . . 1.16 111.661 -170.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -115.27 124.21 50.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.719 -0.673 . . . . 1.35 109.76 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.37 119.62 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 1.01 110.637 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.1 mm? -96.17 99.79 11.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.769 -0.65 . . . . 1.37 110.041 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 108' ' ' THR . 34.7 pt -90.62 138.06 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.541 -0.54 . . . . 1.4 109.541 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -125.77 154.47 42.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.839 0.352 . . . . 2.07 111.03 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.42 178.15 51.36 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.863 -0.608 . . . . 1.09 112.173 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 m -90.09 99.46 12.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.712 -0.477 . . . . 2.22 109.712 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.52 7.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.78 -0.645 . . . . 1.13 110.46 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -66.09 150.82 96.37 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 2.07 110.146 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.83 -45.27 6.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.762 2.974 . . . . 1.3 114.002 -174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.85 -50.75 72.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 2.43 111.329 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.38 -34.55 63.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.639 -0.255 . . . . 2.37 111.197 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.99 -48.65 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 2.81 110.755 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.0 m -64.99 -37.15 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.33 110.561 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -66.51 -38.35 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 2.41 110.144 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.56 73.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.78 110.1 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -65.38 -44.64 86.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 2.44 111.002 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -64.43 -42.5 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.854 0.359 . . . . 2.85 110.154 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.0 97.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.476 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.64 110.968 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.97 -41.69 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 2.62 110.011 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -73.59 -48.51 32.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.78 -0.646 . . . . 2.66 110.973 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 102' ' ' TRP . . . -72.0 -13.51 61.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 0.58 112.176 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.36 -29.48 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.91 0.386 . . . . 3.77 111.333 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 101' ' ' LYS . 2.2 tpmt? -63.85 -16.44 61.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.037 -0.529 . . . . 3.24 111.406 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.435 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 25.5 m-90 -103.4 11.02 37.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.674 0.273 . . . . 2.65 111.492 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 63.43 65.54 0.75 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.726 -0.67 . . . . 2.0 110.714 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.66 135.33 59.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.914 -0.585 . . . . 0.99 109.916 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -120.67 120.68 36.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 4.06 110.326 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 m -95.72 129.72 45.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.168 -0.469 . . . . 1.58 110.142 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -137.17 151.57 48.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.068 -0.345 . . . . 3.0 110.068 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 19.3 m -96.98 130.78 44.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.86 111.482 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.53 109.45 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.51 110.718 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.7 p -84.7 -40.18 17.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 1.55 110.534 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -126.38 160.83 55.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.725 -0.671 . . . . 1.52 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.5 -28.3 73.08 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.344 2.029 . . . . 1.05 111.724 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.25 -34.92 64.44 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.691 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.74 -48.1 41.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.576 -0.738 . . . . 2.7 110.121 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.0 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.7 110.491 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.8 -48.13 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 2.33 111.309 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 118' ' ' TRP . 12.4 ptm180 -72.39 -39.9 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 3.61 111.539 -175.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.495 ' N ' ' HG3' ' A' ' 117' ' ' ARG . 6.6 m95 -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.439 -0.504 . . . . 3.39 110.651 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.51 -32.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.063 -0.517 . . . . 0.81 110.515 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.95 -42.05 34.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.475 . . . . 2.76 110.883 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.31 -30.47 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.52 . . . . 2.57 111.727 -174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -84.57 -37.15 21.54 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.003 -0.279 . . . . 3.02 111.558 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 p -69.6 -38.4 77.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.178 -0.209 . . . . 1.4 110.72 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.474 0.654 . . . . 4.14 110.757 178.589 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.443 ' SD ' ' HE2' ' A' ' 75' ' ' LYS . 48.2 tpp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.044 0.45 . . . . 3.09 110.208 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 2.6 tpm_? -100.05 130.32 46.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.734 -0.469 . . . . 3.31 109.734 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB2' HD22 ' A' ' 47' ' ' LEU . 6.1 mp -107.62 138.06 44.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.0 -0.37 . . . . 1.76 110.0 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.3 136.64 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.649 -0.705 . . . . 0.46 110.352 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.6 t -124.18 117.9 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.613 -0.514 . . . . 0.52 109.613 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 ' HB ' ' A' ' 50' ' ' ILE . 37.4 mt -112.13 116.13 29.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.177 -0.465 . . . . 1.33 110.008 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.1 tt -105.88 126.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.03 -0.532 . . . . 1.36 111.028 -173.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 55.7 t -102.35 96.1 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.922 -0.581 . . . . 1.37 110.286 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -174.13 173.83 3.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 3.23 110.314 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -136.06 83.16 1.99 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.148 -1.056 . . . . 4.58 108.148 167.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 24.6 t70 -126.43 168.65 13.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 2.29 110.348 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.5 mppt? -91.57 -69.38 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.772 -0.371 . . . . 3.77 110.446 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.14 -44.46 94.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.731 -0.668 . . . . 3.23 112.326 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 37.2 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 1.39 110.726 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.74 -34.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.981 -0.554 . . . . 0.97 110.554 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 43.7 mt-10 -58.77 -62.61 1.74 Allowed 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.119 -0.326 . . . . 2.42 110.119 173.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.28 -35.55 69.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 2.53 111.52 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -49.66 63.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.659 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 74.1 ttt180 -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 2.73 111.19 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.19 -36.12 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.03 0.443 . . . . 2.52 110.621 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.475 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 92.8 mmm -67.19 -46.74 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.902 -0.59 . . . . 2.61 110.181 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.75 111.842 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 78.1 mm-40 -58.99 -44.85 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 2.57 111.149 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.53 -10.94 59.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.3 -0.409 . . . . 2.98 111.822 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -119.06 22.57 11.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.704 -0.225 . . . . 0.76 110.935 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER 38.72 48.1 1.27 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.041 1.336 . . . . 2.22 113.207 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' ' 23' ' ' LEU . 67.6 mt -101.57 144.99 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.56 -0.746 . . . . 1.11 109.603 177.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.9 98.44 10.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.671 -0.492 . . . . 2.13 109.671 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.4 tt -110.13 124.71 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.043 0.449 . . . . 1.49 110.487 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' HD23 ' A' ' 26' ' ' LEU . 65.9 mt -120.61 134.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.49 -0.777 . . . . 1.31 110.258 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -81.5 121.98 26.97 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.889 -0.596 . . . . 1.2 111.345 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 53' ' ' PRO . 70.9 t -109.29 142.07 24.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.969 -0.56 . . . . 1.95 110.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.601 ' O ' HG12 ' A' ' 52' ' ' VAL . 10.6 Cg_endo -54.64 161.03 6.37 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.765 2.31 . . . . 2.29 111.534 169.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.39 13.58 0.17 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.53 0.972 . . . . 2.14 115.53 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 p -100.83 129.55 27.19 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.916 0.858 . . . . 1.75 110.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.46 -34.56 12.03 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 123.356 2.704 . . . . 1.09 113.921 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -65.57 -38.77 90.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 2.7 110.501 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.27 -45.75 76.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.605 -0.725 . . . . 2.3 110.706 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -64.27 -50.42 68.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.725 -0.67 . . . . 0.78 111.755 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' HB1' ' A' ' 95' ' ' ALA . 45.0 mm -65.5 -40.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 1.03 111.174 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -66.1 -31.49 72.39 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.049 -0.26 . . . . 3.35 110.618 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.68 -37.68 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.804 -0.443 . . . . 1.22 109.804 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.19 86.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.49 110.399 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.87 -42.04 88.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.777 -0.647 . . . . 2.12 110.474 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 56.6 mm-40 -66.89 -50.76 61.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.378 . . . . 2.21 110.941 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 26' ' ' LEU . 66.9 mt -58.08 -44.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.693 -0.231 . . . . 0.66 111.203 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.82 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.63 110.934 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -58.03 -53.04 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 2.46 111.145 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.9 mttm -85.91 12.84 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.649 -0.705 . . . . 2.41 111.223 -171.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 126.07 56.59 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.267 -0.424 . . . . 0.78 111.069 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.32 107.98 2.57 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.971 1.781 . . . . 1.34 111.038 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.64 -166.04 24.99 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.73 -0.748 . . . . 0.77 112.299 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -79.61 136.17 12.09 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.135 2.557 . . . . 0.9 112.461 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 22' ' ' ARG . 12.8 m -130.49 163.17 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 1.5 110.789 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HA ' HD22 ' A' ' 103' ' ' ASN . 65.1 mttm -129.37 118.54 22.39 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.975 -0.75 . . . . 2.58 108.975 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.554 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.3 t -112.11 128.45 68.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.153 0.501 . . . . 1.16 111.326 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.78 127.12 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.648 -0.706 . . . . 1.35 109.862 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 60' ' ' ILE . 58.0 t -112.43 129.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.02 -0.363 . . . . 1.01 110.02 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -117.49 110.69 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.73 0.3 . . . . 1.37 111.132 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 66.4 mt -93.57 127.08 45.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.653 -0.499 . . . . 1.4 109.653 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 20.5 m -97.7 132.81 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.086 0.402 . . . . 2.07 112.086 -174.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.6 -151.04 26.12 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.73 -0.668 . . . . 1.09 113.054 172.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 t -96.7 138.36 34.38 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.017 -0.364 . . . . 2.22 110.017 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.66 130.59 46.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.215 -0.448 . . . . 1.13 110.367 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.48 158.19 74.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.942 -0.392 . . . . 2.07 109.942 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.7 -48.45 12.18 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.935 2.423 . . . . 1.3 112.02 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.72 -48.92 78.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 2.43 110.987 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.99 -42.32 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 2.37 110.459 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.12 -38.28 87.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.65 -0.705 . . . . 2.81 110.472 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -63.79 -42.73 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.33 110.091 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.04 -46.28 88.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 2.41 110.636 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.372 . . . . 0.78 110.659 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -67.25 -53.76 27.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 2.44 110.637 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -67.95 -39.51 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 2.85 110.801 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -63.8 -44.54 92.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.63 111.31 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.51 78.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.787 0.327 . . . . 0.64 110.964 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.53 -44.94 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.341 -0.614 . . . . 2.62 109.341 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -70.85 -47.57 58.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.664 . . . . 2.66 110.481 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.724 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.84 -23.75 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.58 112.489 -175.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -55.74 -35.65 66.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 3.77 110.656 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -80.05 -11.4 59.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 3.24 110.974 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -100.95 11.73 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.005 -0.543 . . . . 2.65 109.941 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.502 HD22 ' HA ' ' A' ' 75' ' ' LYS . 3.1 t30 63.14 42.84 6.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.21 -0.905 . . . . 2.0 110.299 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.724 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 22.0 t -117.97 136.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.99 109.92 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -125.29 136.36 53.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 4.06 110.271 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.53 128.88 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.073 -0.512 . . . . 1.58 110.694 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -128.31 151.3 49.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.737 0.304 . . . . 3.0 110.409 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -97.36 136.78 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.672 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.2 m -126.09 148.33 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.481 . . . . 1.51 110.373 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 p -120.57 -41.09 2.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.164 0.507 . . . . 1.55 110.753 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 49.5 m -120.53 158.11 52.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.654 . . . . 1.52 109.77 177.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.49 -19.89 66.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.631 2.221 . . . . 1.05 112.318 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.79 -43.76 87.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 2.48 110.46 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 8.2 mp0 -66.29 -47.17 74.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 2.7 110.536 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.23 -50.64 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.7 110.74 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.475 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 40.2 ttmt -56.76 -40.46 75.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.615 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.502 ' HD2' ' CZ3' ' A' ' 118' ' ' TRP . 38.5 ttm180 -65.06 -49.81 68.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 3.61 111.271 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.502 ' CZ3' ' HD2' ' A' ' 117' ' ' ARG . 2.2 m95 -63.72 -34.89 78.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.436 -0.347 . . . . 3.39 110.527 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.18 -35.22 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.196 -0.456 . . . . 0.81 110.35 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HG2' ' OE2' ' A' ' 125' ' ' GLU . 65.1 tttm -62.88 -52.74 61.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 2.76 110.777 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -64.37 -35.28 80.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.108 0.48 . . . . 2.57 110.855 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -75.15 -25.06 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.035 -0.53 . . . . 3.02 111.022 -177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.2 t -59.53 -71.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.827 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -148.34 13.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 4.14 111.128 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.418 ' OE2' ' HG2' ' A' ' 120' ' ' LYS . 43.8 mt-10 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.092 -0.48 . . . . 6.29 110.408 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.392 -0.225 . . . . 3.09 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -100.77 108.67 20.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.032 0.444 . . . . 3.31 110.057 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' ' 47' ' ' LEU . 4.5 tt -104.86 128.04 52.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.85 -0.796 . . . . 1.76 108.85 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 66' ' ' ILE . 47.2 t -106.51 127.25 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.757 -0.656 . . . . 0.46 110.172 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.9 119.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.827 0.346 . . . . 0.52 110.874 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -105.75 109.79 21.87 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.18 -0.674 . . . . 1.33 109.18 173.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 138.23 38.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.689 -0.485 . . . . 1.36 109.689 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -87.8 129.66 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.216 -0.447 . . . . 1.37 109.94 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -58.76 150.92 22.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.869 -0.605 . . . . 3.23 112.278 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.675 ' ND2' HG21 ' A' ' 81' ' ' THR . 4.7 p30 -179.21 -170.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.968 -1.123 . . . . 4.58 107.968 -171.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -43.88 133.5 4.87 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.46 0.648 . . . . 2.29 111.186 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -53.25 -27.25 21.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.821 -1.082 . . . . 3.77 113.594 -172.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -61.73 -46.04 91.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.96 0.41 . . . . 3.23 111.129 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD12 HD21 ' A' ' 30' ' ' ASN . 3.2 tm? -68.33 -42.24 79.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.39 110.309 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 30' ' ' ASN . 52.6 mt -62.11 -48.96 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.97 110.891 -178.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.09 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 2.42 111.436 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.78 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 2.53 110.304 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.35 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.61 110.361 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -60.93 -41.45 96.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 2.73 110.764 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.06 -47.14 87.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 2.52 110.91 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 92.7 mmm -63.65 -37.46 87.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 2.61 111.028 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.48 55.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.75 110.854 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.37 -19.05 61.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.779 0.323 . . . . 2.57 111.251 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -66.58 -41.38 88.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.11 0.481 . . . . 2.98 110.363 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.82 43.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 0.76 111.057 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 61.64 49.16 5.17 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.451 -0.795 . . . . 2.22 111.466 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 23' ' ' LEU . 17.0 mt -105.58 159.06 16.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 1.11 109.871 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -97.84 113.05 24.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.318 -0.253 . . . . 2.13 110.318 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 tt -115.72 140.74 48.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 1.49 111.088 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HD13 ' A' ' 26' ' ' LEU . 84.9 mt -130.8 131.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.556 -0.747 . . . . 1.31 109.819 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.9 m -93.02 109.71 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.994 0.425 . . . . 1.2 110.013 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 53' ' ' PRO . 6.2 m -89.0 168.98 14.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.526 . . . . 1.95 111.288 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.0 Cg_endo -54.64 159.47 8.73 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.613 2.208 . . . . 2.29 111.622 167.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.65 10.26 4.11 Favored Glycine 0 C--N 1.318 -0.428 0 CA-C-N 115.811 -0.631 . . . . 2.14 114.282 -173.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -100.04 137.31 20.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 117.412 0.606 . . . . 1.75 110.72 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.74 -27.38 21.88 Favored 'Trans proline' 0 N--CA 1.466 -0.106 0 C-N-CA 123.24 2.626 . . . . 1.09 112.379 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 11.2 tp10 -59.78 -56.61 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 2.7 110.14 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.21 -29.29 70.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.437 -0.801 . . . . 2.3 111.502 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -63.0 -48.52 78.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.78 111.006 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.8 -35.06 35.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.719 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 80.2 mtp180 -62.2 -39.06 91.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 3.35 110.506 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -52.26 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.22 109.236 175.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.76 -43.81 94.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.238 -0.892 . . . . 0.49 111.562 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.39 -37.2 82.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.544 -0.753 . . . . 2.12 110.681 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.04 -51.62 37.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 2.21 110.597 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 24' ' ' VAL . 64.4 mt -61.44 -42.2 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.66 111.434 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.15 94.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.972 0.415 . . . . 0.63 111.191 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -67.65 -45.33 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 2.46 110.625 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 18.93 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.693 -0.685 . . . . 2.41 111.56 -174.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.6 116.73 66.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.63 -0.259 . . . . 0.78 110.582 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.35 107.67 1.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.203 1.935 . . . . 1.34 111.738 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.32 -149.26 18.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.012 -0.614 . . . . 0.77 112.379 176.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.27 142.84 21.75 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.647 2.231 . . . . 0.9 111.957 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -153.72 144.4 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 1.5 110.55 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -128.57 123.96 34.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.502 -0.555 . . . . 2.58 109.502 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 63' ' ' ALA . 18.7 t -115.7 133.89 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.846 0.355 . . . . 1.16 110.98 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 105' ' ' ARG . 48.6 tp -119.43 130.35 55.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.901 -0.59 . . . . 1.35 109.72 177.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -115.92 127.53 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.681 0.277 . . . . 1.01 110.374 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.8 mm? -112.49 100.02 8.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 1.37 110.923 -176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -80.8 124.63 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.322 -0.622 . . . . 1.4 109.322 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.675 HG21 ' ND2' ' A' ' 30' ' ' ASN . 17.8 p -87.51 143.72 27.07 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 2.07 112.401 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 -136.66 15.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.571 -0.74 . . . . 1.09 111.988 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.4 p -111.85 141.49 45.42 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.56 -0.533 . . . . 2.22 109.56 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.66 109.76 21.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.913 0.387 . . . . 1.13 110.528 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 28.1 m-20 -72.18 161.65 77.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.78 -0.646 . . . . 2.07 110.258 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 85' ' ' ASP . 68.5 Cg_exo -42.31 -50.71 5.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.494 2.796 . . . . 1.3 114.348 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.99 -48.03 59.81 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.866 0.365 . . . . 2.43 110.836 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' OE1' ' HB2' ' A' ' 85' ' ' ASP . 5.7 mp0 -56.79 -43.4 80.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.784 -0.644 . . . . 2.37 110.667 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -65.88 -40.34 91.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.522 -0.763 . . . . 2.81 110.656 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.4 m -69.6 -42.49 74.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 1.33 110.976 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.493 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 97.5 mttt -62.29 -40.6 96.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 2.41 110.719 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.84 76.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.924 -0.58 . . . . 0.78 109.936 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 25.9 ttpp -61.43 -53.79 51.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 2.44 111.361 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 21.3 pttp -57.87 -36.3 72.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.907 0.384 . . . . 2.85 111.227 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.58 32.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.228 -0.442 . . . . 0.63 110.75 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.1 -36.93 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.64 110.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 45.9 mt-10 -66.28 -29.89 70.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.225 -0.443 . . . . 2.62 110.391 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -76.56 -40.26 50.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.421 0.629 . . . . 2.66 109.768 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.49 -14.18 60.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.725 -0.67 . . . . 0.58 111.527 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.21 -23.7 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 3.77 110.736 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.04 -16.46 61.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.9 -0.591 . . . . 3.24 111.261 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -119.25 12.12 12.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.093 0.473 . . . . 2.65 110.766 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 60.29 72.67 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.924 -1.035 . . . . 2.0 111.284 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.27 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.99 109.625 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.7 tpm_? -86.95 99.96 12.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.893 -0.594 . . . . 4.06 110.858 -173.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -94.68 135.69 28.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 1.58 110.186 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -150.06 163.8 37.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 3.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 m -101.89 132.09 47.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.201 -0.454 . . . . 0.86 111.276 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.1 t -113.89 113.29 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.511 -0.768 . . . . 1.51 110.289 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -101.57 -26.03 13.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.398 0.618 . . . . 1.55 109.829 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 13.3 p -128.33 137.66 31.35 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.584 -0.735 . . . . 1.52 110.07 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 53.7 Cg_exo -52.73 -27.83 35.46 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.635 2.89 . . . . 1.05 113.737 -177.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.15 -35.59 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 2.48 110.819 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.44 -57.06 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 2.7 110.583 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -53.25 -45.63 68.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.455 -0.338 . . . . 0.7 110.992 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -64.13 -36.98 85.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 2.33 111.442 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -80.91 -39.15 26.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.552 -0.459 . . . . 3.61 111.134 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -70.89 -37.6 73.0 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 111.601 0.223 . . . . 3.39 111.601 -175.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.07 -39.63 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.094 0.473 . . . . 0.81 109.792 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -69.53 -41.14 76.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.841 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.94 -41.09 83.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.729 0.299 . . . . 2.57 111.17 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -73.59 -21.69 60.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.167 0.508 . . . . 3.02 110.324 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -87.28 -47.51 8.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 1.4 111.025 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 68.27 -75.0 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 4.14 109.994 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.243 0.744 0 CA-C-O 118.609 -0.71 . . . . 6.29 109.588 176.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.947 -0.39 . . . . 3.09 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.466 ' NH2' ' HB2' ' A' ' 48' ' ' GLU . 26.5 tpt180 -112.97 125.17 54.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.907 0.384 . . . . 3.31 110.845 -176.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.59 124.0 50.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 1.76 109.458 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 48.5 t -121.05 147.22 25.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.46 110.664 -174.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 40.5 t -125.73 126.45 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.98 -0.378 . . . . 0.52 109.98 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -116.39 123.21 47.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.85 -0.426 . . . . 1.33 109.85 175.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.9 tt -120.54 147.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.156 -0.474 . . . . 1.36 110.426 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' ' 52' ' ' VAL . 62.2 t -88.25 134.04 29.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.251 -0.648 . . . . 1.37 109.251 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.6 m -60.11 114.9 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.481 . . . . 3.23 111.755 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.503 ' HB3' HD23 ' A' ' 34' ' ' LEU . 6.1 t-20 -134.52 -171.35 2.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.565 -0.902 . . . . 4.58 108.565 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -46.64 145.09 2.0 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.571 0.701 . . . . 2.29 112.495 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -36.84 -51.97 0.91 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 113.965 -1.47 . . . . 3.77 114.667 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.93 -34.4 78.32 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.249 0.463 . . . . 3.23 112.249 -170.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 30' ' ' ASN . 63.0 tp -64.58 -46.81 81.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.833 0.349 . . . . 1.39 110.427 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -32.2 53.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.97 110.39 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 22.9 mm-40 -70.62 -63.44 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.496 . . . . 2.42 110.908 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.1 -41.53 75.36 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.001 0.371 . . . . 2.53 112.001 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.83 98.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.61 110.992 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 49' ' ' LEU . 36.0 ttt180 -77.44 -32.01 54.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.409 -0.359 . . . . 2.73 110.693 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 28.6 mtpp -65.2 -34.02 77.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.847 0.356 . . . . 2.52 110.405 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.9 mmm -70.22 -38.77 75.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 2.61 110.107 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 47' ' ' LEU . . . -63.61 -44.23 94.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.661 -0.7 . . . . 0.75 110.61 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.27 -27.22 68.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.576 . . . . 2.57 110.556 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.11 -59.87 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 2.98 110.901 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.71 20.2 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.308 0.484 . . . . 0.76 112.308 -172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 63.37 67.77 0.64 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.391 0.615 . . . . 2.22 111.372 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 42' ' ' ALA . 2.5 mm? -119.05 142.27 48.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.004 -0.544 . . . . 1.11 109.788 175.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 36.3 tt0 -88.63 103.49 15.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.125 -0.694 . . . . 2.13 109.125 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.629 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.3 tt -105.95 135.68 46.97 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.896 -0.322 . . . . 1.49 111.12 -174.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.36 134.14 67.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.647 -0.706 . . . . 1.31 110.191 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -92.43 128.14 38.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.592 -0.276 . . . . 1.2 110.786 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 53' ' ' PRO . 4.5 m -112.33 167.52 9.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.757 -0.201 . . . . 1.95 111.414 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.9 Cg_endo -55.39 160.52 8.69 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.002 2.468 . . . . 2.29 112.224 168.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.99 32.94 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.101 -0.954 . . . . 2.14 114.821 -172.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.2 m -91.6 132.23 33.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.641 0.721 . . . . 1.75 111.087 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' O ' HG12 ' A' ' 60' ' ' ILE . 63.2 Cg_endo -69.62 -24.63 30.12 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 123.06 2.507 . . . . 1.09 113.11 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.42 -37.54 86.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 2.7 110.643 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -70.02 -39.32 75.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 2.3 109.928 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -59.45 -46.14 89.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.523 -0.762 . . . . 0.78 111.191 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 56' ' ' PRO . 31.7 mm -65.83 -48.49 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.29 -0.414 . . . . 1.03 110.912 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -61.88 -40.71 96.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 3.35 111.197 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.13 -49.92 73.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 1.22 109.485 177.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -64.72 -32.79 74.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.386 . . . . 0.49 111.624 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.18 -40.21 95.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.156 0.503 . . . . 2.12 109.736 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 49.8 mt-10 -71.33 -33.57 69.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.796 -0.638 . . . . 2.21 110.866 176.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.516 ' CG1' ' HA ' ' A' ' 63' ' ' ALA . 32.9 mm -49.59 -58.38 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 CA-C-O 120.872 0.368 . . . . 0.66 110.499 174.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 102' ' ' TRP . . . -66.82 -37.66 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.62 -0.718 . . . . 0.63 111.18 -178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.64 -33.85 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 2.46 111.234 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 65' ' ' GLU . 24.7 mttp -100.83 6.17 43.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 2.41 111.173 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.44 131.35 44.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.666 -0.243 . . . . 0.78 111.052 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -83.04 108.39 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.432 2.088 . . . . 1.34 112.336 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.08 -163.63 17.05 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.781 -0.723 . . . . 0.77 112.633 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.0 120.65 7.93 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.965 2.443 . . . . 0.9 111.673 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.52 142.86 37.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.255 -0.429 . . . . 1.5 111.385 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.42 136.9 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.706 -0.679 . . . . 2.58 109.476 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 5.8 p -128.82 133.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.229 0.538 . . . . 1.16 111.132 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.3 tp -103.83 123.85 47.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.594 -0.73 . . . . 1.35 110.33 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -103.76 120.4 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 1.01 110.238 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 79' ' ' LEU . 2.9 mm? -99.87 103.53 15.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.207 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -83.97 117.75 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 1.4 109.64 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 30' ' ' ASN . 72.1 p -83.71 119.17 24.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.107 -0.497 . . . . 2.07 111.674 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.17 -177.24 47.5 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.889 -0.672 . . . . 1.09 112.225 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -85.89 130.12 34.64 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.069 -0.345 . . . . 2.22 110.069 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.91 115.66 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 1.13 110.804 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.52 160.59 75.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 2.07 110.571 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -37.56 -50.84 1.78 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.11 3.207 . . . . 1.3 115.288 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.48 -47.7 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.944 -0.302 . . . . 2.43 110.798 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.67 -42.46 92.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.313 0.578 . . . . 2.37 109.835 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -61.8 -39.44 91.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.086 -0.961 . . . . 2.81 109.998 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.7 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 1.33 110.821 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.35 -41.69 80.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 2.41 110.471 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.51 -45.08 61.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.78 111.454 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -62.18 -34.31 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.646 0.26 . . . . 2.44 111.577 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 24.0 tptm -79.69 -51.38 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 2.85 110.525 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.63 98.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.63 111.292 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -66.17 -29.49 69.78 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.64 110.955 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.02 -45.09 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.976 0.417 . . . . 2.62 109.993 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 22.6 mm-40 -65.94 -49.14 69.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 2.66 110.374 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -71.79 -16.9 62.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.58 111.99 -176.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 39.8 ttm180 -59.08 -27.17 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.677 0.275 . . . . 3.77 111.323 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -62.18 -29.38 70.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.205 0.526 . . . . 3.24 110.392 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 76.3 m95 -90.28 18.82 5.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 2.65 110.551 -177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 66.62 29.68 8.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.816 -0.629 . . . . 2.0 111.28 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.426 HG21 ' HB1' ' A' ' 99' ' ' ALA . 98.3 t -82.77 111.97 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.99 109.683 175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -104.67 130.97 52.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 4.06 109.946 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.3 m -109.82 126.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 1.58 111.234 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 4.1 mmp_? -129.48 142.45 50.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.199 -0.455 . . . . 3.0 110.128 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.2 m -90.47 129.44 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.86 110.426 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 115' ' ' ALA . 74.8 t -125.61 126.73 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.16 -0.473 . . . . 1.51 110.737 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.1 p -113.44 -26.94 8.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.975 0.417 . . . . 1.55 110.709 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.4 p -130.3 146.51 61.93 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-O 121.093 0.473 . . . . 1.52 110.446 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 13.0 Cg_endo -56.43 -26.62 63.96 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.895 3.064 . . . . 1.05 114.037 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 22.7 t70 -66.08 -34.25 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 2.48 110.482 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.18 -47.77 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 2.7 110.491 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -55.97 -51.84 66.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.7 111.17 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -68.97 -21.73 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 2.33 110.94 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 113' ' ' ASP . 1.4 tmm_? -74.93 -49.12 21.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.536 -0.542 . . . . 3.61 109.536 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -59.72 -54.43 46.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.166 -0.47 . . . . 3.39 110.718 177.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.7 mt -55.53 -39.13 52.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 0.81 111.228 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -59.57 -41.97 91.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.108 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -38.17 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.513 -0.312 . . . . 2.57 111.577 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.45 -21.5 63.72 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.084 -0.246 . . . . 3.02 111.373 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.3 m -81.72 -36.05 29.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.899 -0.408 . . . . 1.4 109.899 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.33 -42.17 88.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.805 -0.634 . . . . 4.14 109.837 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.184 -0.916 . . . . 6.29 109.32 178.483 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.584 ' SD ' ' HE2' ' A' ' 75' ' ' LYS . 56.8 ttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.916 -0.401 . . . . 3.09 109.916 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -88.94 135.87 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.877 0.37 . . . . 3.31 110.905 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' CB ' HD22 ' A' ' 47' ' ' LEU . 2.8 mm? -107.17 99.83 9.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.748 -0.66 . . . . 1.76 109.293 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.5 t -98.93 116.25 41.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.223 -0.444 . . . . 0.46 111.004 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 13.9 t -109.91 115.33 49.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.559 -0.534 . . . . 0.52 109.559 176.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 32.5 mt -113.56 125.59 54.35 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.774 -0.454 . . . . 1.33 109.774 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -115.85 130.5 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.835 0.35 . . . . 1.36 111.208 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 38.9 t -108.82 97.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 1.37 109.742 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 t -172.15 149.2 2.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.848 -0.615 . . . . 3.23 109.665 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -115.73 77.49 1.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.295 1.045 . . . . 4.58 109.126 166.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.9 t70 -128.17 110.35 12.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.233 -1.349 . . . . 2.29 108.176 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 pttt -56.56 -32.11 64.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.885 0.698 . . . . 3.77 112.885 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -79.71 -50.43 10.62 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.71 -0.396 . . . . 3.23 111.026 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 36.7 tp -55.56 -43.64 76.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.29 . . . . 1.39 110.831 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.35 -52.27 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.894 -0.594 . . . . 0.97 111.335 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 8.9 pt-20 -73.75 -40.02 63.81 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.26 -0.576 . . . . 2.42 111.65 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 41' ' ' MET . 70.0 mm-40 -58.89 -44.92 91.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 2.53 110.934 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 0.61 110.867 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.69 -46.35 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.296 -0.562 . . . . 2.73 110.285 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 89.9 mttt -48.82 -50.66 33.39 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.345 0.403 . . . . 2.52 111.239 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 15.8 ptm -71.24 -41.34 70.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 2.61 111.783 -177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.16 56.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.75 111.412 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.41 -26.2 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 2.57 110.322 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -69.65 -34.1 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.788 -0.449 . . . . 2.98 109.788 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.35 9.56 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.76 110.809 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.81 32.83 5.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.554 -0.748 . . . . 2.22 111.26 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.561 HD11 ' OG ' ' A' ' 123' ' ' SER . 11.6 mt -95.93 166.09 11.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.852 -0.796 . . . . 1.11 108.852 173.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.59 103.46 12.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.639 0.733 . . . . 2.13 110.031 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.8 tt -105.57 121.69 44.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.646 -0.706 . . . . 1.49 109.906 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.457 ' HB ' HD23 ' A' ' 26' ' ' LEU . 66.6 mt -117.5 132.34 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.606 -0.724 . . . . 1.31 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -84.43 123.97 30.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.069 -0.514 . . . . 1.2 110.557 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.6 t -99.71 144.97 29.32 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.88 -0.6 . . . . 1.95 110.134 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.583 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -49.75 160.59 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.61 2.206 . . . . 2.29 111.124 166.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.13 11.47 1.41 Allowed Glycine 0 C--N 1.317 -0.526 0 CA-C-N 115.796 -0.638 . . . . 2.14 114.537 -169.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -96.18 114.7 64.75 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 117.475 0.638 . . . . 1.75 109.547 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' A' ' 88' ' ' GLU . 53.6 Cg_exo -61.17 -30.33 88.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.096 2.531 . . . . 1.09 112.678 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 91' ' ' LYS . 9.9 pt-20 -65.3 -37.43 87.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 2.7 110.992 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.96 -36.97 78.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 2.3 110.05 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -60.76 -48.21 82.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.694 . . . . 0.78 112.216 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 56' ' ' PRO . 16.4 mm -64.71 -38.32 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.21 0.529 . . . . 1.03 110.132 -177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 98.5 mtt180 -68.85 -32.67 72.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.576 -0.738 . . . . 3.35 110.315 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -42.02 87.78 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.136 -0.69 . . . . 1.22 109.136 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.53 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 0.49 110.545 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.38 -39.4 79.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.463 -0.79 . . . . 2.12 110.658 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 10.7 mm-40 -63.25 -57.19 11.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 2.21 110.856 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.62 -47.75 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.66 111.767 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -71.97 -38.63 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.602 0.593 . . . . 0.63 112.602 -172.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -72.7 -33.6 66.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.737 0.303 . . . . 2.46 110.992 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 67.4 mmtt -84.72 -13.37 51.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.806 -0.358 . . . . 2.41 110.743 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.427 ' CB ' HG21 ' A' ' 74' ' ' VAL . . . -80.71 121.53 81.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.358 -0.383 . . . . 0.78 111.171 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 108.02 2.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.17 1.914 . . . . 1.34 111.86 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.07 -176.21 16.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.774 -0.727 . . . . 0.77 112.16 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 21' ' ' MET . 12.4 Cg_exo -70.15 119.41 6.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.915 2.41 . . . . 0.9 111.848 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 70' ' ' ALA . 66.0 t -131.87 146.88 32.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.914 -0.585 . . . . 1.5 109.793 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -134.62 139.74 45.55 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.625 . . . . 2.58 109.314 174.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 28.2 t -122.05 137.03 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.38 -0.373 . . . . 1.16 110.624 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.2 109.32 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.531 -0.914 . . . . 1.35 108.531 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.1 p -103.76 123.39 57.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 121.587 0.708 . . . . 1.01 110.321 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 107' ' ' ARG . 79.2 mt -107.2 108.41 19.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.202 -0.908 . . . . 1.37 110.566 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 28.5 pt -91.68 123.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.928 -0.397 . . . . 1.4 109.928 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 9.4 m -99.42 131.88 45.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.38 -0.373 . . . . 2.07 111.134 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.61 -164.37 13.99 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.892 -0.671 . . . . 1.09 112.492 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -99.29 116.62 31.89 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.004 -0.369 . . . . 2.22 110.004 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.14 122.75 24.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.145 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -73.21 157.6 88.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.584 -0.525 . . . . 2.07 109.584 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -36.81 -51.01 1.4 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.135 3.223 . . . . 1.3 114.298 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 23.1 t70 -61.41 -57.21 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.65 0.262 . . . . 2.43 110.849 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 46.4 mt-10 -57.45 -40.28 78.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 2.37 110.983 -178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.25 -43.96 98.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 2.81 110.59 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.0 m -71.4 -40.69 70.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 1.33 110.66 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 57' ' ' GLU . 32.5 mmtp -56.44 -53.59 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.031 -0.531 . . . . 2.41 110.85 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -19.45 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.958 -0.565 . . . . 0.78 111.14 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -77.45 -55.92 4.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.093 -0.503 . . . . 2.44 110.758 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.9 -39.23 76.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 2.85 110.444 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.52 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.361 . . . . 0.63 110.968 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.32 83.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.412 . . . . 0.64 111.004 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 16.5 mm-40 -67.16 -26.79 66.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 2.62 110.536 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.61 -43.29 10.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 2.66 110.498 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.08 -14.25 61.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.58 112.163 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 16.3 ptt180 -64.72 -10.78 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.394 -0.192 . . . . 3.77 111.406 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.7 -30.39 67.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.981 0.419 . . . . 3.24 110.7 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.526 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.1 m-90 -111.48 32.21 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 2.65 110.317 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.11 37.63 24.08 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.336 -0.847 . . . . 2.0 111.642 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -89.9 127.99 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.108 -0.496 . . . . 0.99 109.738 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 7.2 ptp180 -127.87 144.47 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.882 0.372 . . . . 4.06 110.804 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 t -109.86 128.23 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 1.58 110.463 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 28.2 ttm180 -136.72 133.62 36.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.941 0.401 . . . . 3.0 110.377 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m -88.67 136.4 33.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.057 -0.519 . . . . 0.86 111.34 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' THR . 30.8 m -125.71 140.25 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 1.51 110.258 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -120.41 -6.49 9.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.532 . . . . 1.55 111.034 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 49.7 m -150.06 142.13 15.46 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.165 -0.471 . . . . 1.52 109.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 27.4 Cg_exo -62.17 -32.66 82.89 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.193 2.595 . . . . 1.05 112.452 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.414 0.626 . . . . 2.48 109.953 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 9.4 mm-40 -74.19 -45.23 49.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.096 -0.957 . . . . 2.7 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.84 74.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.7 110.542 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -56.77 -46.99 81.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.321 -0.854 . . . . 2.33 111.313 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 8.4 ptp180 -68.94 -29.35 67.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.832 -0.347 . . . . 3.61 110.548 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -71.89 -44.69 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.538 -0.301 . . . . 3.39 110.666 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.08 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.81 110.227 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -58.95 -46.19 88.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.966 0.412 . . . . 2.76 110.315 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.08 -31.13 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 2.57 110.685 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -80.03 -27.08 39.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.689 -0.687 . . . . 3.02 110.896 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.561 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.3 m -78.23 -38.69 42.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.171 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.35 125.9 49.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 4.14 110.874 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.749 -0.66 . . . . 6.29 110.834 -178.135 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.185 -0.302 . . . . 3.09 110.185 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 74' ' ' VAL . 30.7 mmm180 -129.75 143.8 50.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.765 -0.198 . . . . 3.31 110.853 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.78 114.88 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.76 109.262 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 66' ' ' ILE . 38.4 t -121.9 136.41 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.049 0.452 . . . . 0.46 111.56 -170.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.7 t -121.18 116.15 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.52 109.821 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB ' ' A' ' 50' ' ' ILE . 21.3 mt -115.45 113.94 24.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.791 0.329 . . . . 1.33 110.651 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.82 133.01 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 1.36 110.795 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.22 94.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.37 109.993 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -175.91 -179.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 3.23 110.217 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -144.84 81.79 1.66 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.859 -0.793 . . . . 4.58 108.859 163.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -125.43 122.11 35.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.147 -0.933 . . . . 2.29 108.585 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -66.89 -32.13 73.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.125 0.417 . . . . 3.77 112.125 -171.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.17 -46.17 21.24 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.575 -0.45 . . . . 3.23 110.324 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.23 -54.03 51.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 1.39 110.724 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.435 HG23 HG21 ' A' ' 51' ' ' THR . 81.7 mt -61.29 -52.29 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.97 112.057 -174.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 48.8 mt-10 -61.63 -56.47 19.51 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.191 -0.204 . . . . 2.42 111.537 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.9 -34.18 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 2.53 110.972 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.3 -46.56 66.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.61 110.45 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 49' ' ' LEU . 40.9 ttt180 -65.9 -35.24 80.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 2.73 111.196 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mmmm -59.8 -41.17 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 2.52 110.615 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 mmt -78.59 -30.18 46.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.243 -0.435 . . . . 2.61 110.556 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.88 -53.37 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 0.75 111.461 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.02 -20.28 63.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.082 0.468 . . . . 2.57 110.665 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.6 -23.53 60.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.776 -0.647 . . . . 2.98 109.82 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 13.69 30.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.711 -0.677 . . . . 0.76 111.147 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 62.51 33.86 15.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.054 -0.521 . . . . 2.22 111.415 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.83 143.71 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.11 110.022 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -89.6 98.52 11.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.24 -0.652 . . . . 2.13 109.24 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 39' ' ' ARG . 9.4 tt -106.03 126.55 52.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 1.49 110.822 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' HB ' HD23 ' A' ' 26' ' ' LEU . 81.0 mt -129.15 131.75 67.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.329 -0.85 . . . . 1.31 109.847 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 35' ' ' ILE . 3.8 p -94.71 128.03 41.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.313 0.577 . . . . 1.2 111.331 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 53' ' ' PRO . 73.3 t -102.04 149.01 36.17 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.189 -0.914 . . . . 1.95 110.106 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.55 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.1 Cg_endo -48.15 161.62 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.744 2.296 . . . . 2.29 111.332 165.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.05 13.45 0.35 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 115.243 0.857 . . . . 2.14 115.243 -168.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.482 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 10.9 p -89.81 125.11 62.01 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 117.749 0.774 . . . . 1.75 110.82 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -71.94 -45.14 0.75 Allowed 'Trans proline' 0 C--N 1.335 -0.175 0 C-N-CA 123.211 2.608 . . . . 1.09 113.906 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -73.38 -34.24 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.576 0.226 . . . . 2.7 111.406 -175.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -61.22 -36.02 78.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.147 0.498 . . . . 2.3 110.417 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.45 81.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.78 110.975 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 51.1 mt -71.63 -33.03 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.215 -0.448 . . . . 1.03 110.227 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 47.1 mtp180 -66.41 -37.63 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.752 -0.462 . . . . 3.35 109.752 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -43.8 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.908 -0.775 . . . . 1.22 108.908 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.28 93.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 0.49 110.806 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 25.2 tp60 -57.53 -41.71 81.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.61 . . . . 2.12 110.572 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -62.58 -56.34 18.83 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.044 -0.526 . . . . 2.21 111.241 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG21 ' A' ' 24' ' ' VAL . 52.6 mt -58.7 -37.55 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.66 110.713 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -61.85 -53.81 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 0.63 111.503 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 10.6 pt-20 -71.55 -27.67 63.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 2.46 111.502 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -91.14 4.16 52.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.643 -0.253 . . . . 2.41 111.112 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.81 133.31 43.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.679 0.276 . . . . 0.78 111.622 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.56 108.66 2.58 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.225 1.95 . . . . 1.34 111.947 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.69 -169.99 37.83 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.755 -0.657 . . . . 0.77 112.114 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 123.56 13.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.736 2.291 . . . . 0.9 111.394 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 22' ' ' ARG . 13.2 p -111.36 137.99 41.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.265 0.555 . . . . 1.5 110.578 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.93 101.32 7.78 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.772 -0.825 . . . . 2.58 108.772 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.486 ' CG1' HG22 ' A' ' 104' ' ' VAL . 6.0 p -128.53 137.57 56.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.152 0.501 . . . . 1.16 110.957 -177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.3 pt? -133.17 144.67 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 1.35 110.256 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -101.59 131.16 49.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 1.01 109.774 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.578 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.0 mm? -111.0 99.88 8.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.37 111.163 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 108' ' ' THR . 32.9 pt -94.84 153.63 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.917 -0.771 . . . . 1.4 108.917 173.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.8 p -68.83 153.47 43.73 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.527 -0.469 . . . . 2.07 110.506 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 108' ' ' THR . . . -46.47 -63.42 3.07 Favored Glycine 0 C--N 1.332 0.356 0 O-C-N 123.915 0.76 . . . . 1.09 114.295 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.2 m -78.95 98.44 6.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.202 0.525 . . . . 2.22 110.448 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.72 127.21 43.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.51 -0.768 . . . . 1.13 109.81 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 145.75 99.03 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.03 -0.532 . . . . 2.07 109.992 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -36.1 -47.65 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.463 2.775 . . . . 1.3 113.916 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.25 -29.71 66.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.045 0.45 . . . . 2.43 111.288 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.51 -43.62 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.16 0.505 . . . . 2.37 109.941 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.04 -38.72 82.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.444 -0.798 . . . . 2.81 111.355 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 p -61.24 -48.03 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.149 0.5 . . . . 1.33 110.724 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -66.01 -35.44 80.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 2.41 110.977 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.16 -42.4 69.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.78 110.586 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -64.72 -34.94 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.44 111.042 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.85 -47.89 56.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 2.85 110.824 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.4 -40.24 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.63 111.762 -175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.672 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -55.87 -53.76 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.647 0.26 . . . . 0.64 111.231 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.93 -29.78 69.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 2.62 110.994 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.25 -45.54 59.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 2.66 110.383 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.1 -21.74 59.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 0.58 111.98 -176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 54.9 mtp180 -59.46 -17.29 29.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.702 0.26 . . . . 3.77 111.702 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.84 -18.03 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 3.24 111.394 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -119.89 27.25 8.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.933 0.397 . . . . 2.65 110.309 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.4 t30 66.67 57.33 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.277 -0.874 . . . . 2.0 111.303 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.486 HG22 ' CG1' ' A' ' 76' ' ' VAL . 43.6 t -120.73 113.53 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.99 109.742 175.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -114.84 153.63 30.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.667 -0.242 . . . . 4.06 110.499 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t -117.3 126.03 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.711 0.291 . . . . 1.58 111.04 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -120.31 157.83 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.666 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 2.6 p -104.98 139.4 39.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.86 111.161 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -116.41 133.19 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.019 0.438 . . . . 1.51 110.961 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t -116.73 -19.0 10.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.29 -0.414 . . . . 1.55 111.234 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.4 p -156.85 157.01 30.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.494 -0.321 . . . . 1.52 110.365 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.59 -19.46 67.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.183 . . . . 1.05 111.172 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.25 -54.98 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.702 -0.681 . . . . 2.48 109.816 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 28.7 mm-40 -65.73 -33.75 76.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 2.7 110.734 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -54.1 -49.61 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.662 0.267 . . . . 0.7 111.477 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -74.8 -13.33 60.57 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.802 -0.359 . . . . 2.33 111.04 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 45.8 ttt180 -64.91 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 3.61 110.999 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.578 ' CZ2' ' HG ' ' A' ' 79' ' ' LEU . 20.2 p-90 -67.65 -27.04 66.53 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.861 -0.336 . . . . 3.39 111.065 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.11 -49.93 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.059 0.457 . . . . 0.81 110.487 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -64.21 -33.89 76.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 2.76 110.365 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -69.78 -48.76 58.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 2.57 110.617 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 118' ' ' TRP . 7.5 t80 -60.12 -27.24 66.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.282 -0.872 . . . . 3.02 111.039 -176.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -73.09 -14.99 61.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.879 -0.6 . . . . 1.4 111.16 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -105.12 -41.11 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.269 . . . . 4.14 111.343 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 6.29 110.915 -179.822 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.765 0.317 . . . . 3.09 110.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -64.66 139.86 58.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.656 -0.498 . . . . 3.31 109.656 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' A' ' 47' ' ' LEU . 72.1 mt -117.85 115.4 24.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.202 0.525 . . . . 1.76 110.816 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.6 t -107.92 134.53 49.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.476 -0.784 . . . . 0.46 109.188 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.9 t -125.97 110.43 23.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.826 0.346 . . . . 0.52 110.723 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.4 mt -106.62 124.67 49.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.671 -0.492 . . . . 1.33 109.671 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.19 139.91 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.096 -0.502 . . . . 1.36 111.319 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -89.44 152.68 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.057 -0.72 . . . . 1.37 109.057 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 11.0 p -59.44 114.85 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 3.23 112.773 -171.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -131.7 -170.65 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.134 -1.432 . . . . 4.58 107.134 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -40.33 130.11 2.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 2.29 110.907 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -58.65 -29.14 66.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.303 -0.862 . . . . 3.77 112.654 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.6 tttm -75.32 -32.76 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.707 -0.479 . . . . 3.23 109.707 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 115' ' ' ALA . 62.1 tp -64.58 -41.74 96.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 1.39 110.686 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -39.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.136 0.493 . . . . 0.97 109.775 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 50.5 mt-10 -67.22 -46.3 74.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.401 175.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 70.8 mm-40 -57.91 -43.67 86.34 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.491 -0.322 . . . . 2.53 111.181 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.63 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.61 110.872 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 31.8 ttp180 -69.28 -34.42 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 2.73 110.86 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.9 mmtm -60.31 -41.78 94.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.179 0.514 . . . . 2.52 110.301 175.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.5 mmm -70.77 -40.2 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.689 . . . . 2.61 110.127 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -62.22 -53.58 53.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 0.75 111.445 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.01 -26.56 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 2.57 111.191 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 4.0 ttmp? -77.57 -42.37 35.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.177 -0.465 . . . . 2.98 111.038 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.72 13.23 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.953 0.406 . . . . 0.76 111.275 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 58.88 45.58 15.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.588 -0.733 . . . . 2.22 111.87 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 23' ' ' LEU . 18.1 mt -98.77 153.94 18.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.807 -0.633 . . . . 1.11 109.528 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -90.09 98.64 11.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.809 -0.441 . . . . 2.13 109.809 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.1 tm? -92.56 114.76 27.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.012 -0.366 . . . . 1.49 110.012 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 69.6 mt -125.26 136.64 60.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.076 -0.511 . . . . 1.31 109.964 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -113.67 105.56 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.565 -0.289 . . . . 1.2 110.366 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HG22 ' A' ' 50' ' ' ILE . 90.9 t -122.65 82.24 48.2 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 1.95 110.011 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HB3' ' H ' ' A' ' 29' ' ' SER . 84.6 Cg_endo -91.07 103.69 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 122.691 2.261 . . . . 2.29 114.127 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.19 -52.88 0.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.128 -1.51 . . . . 2.14 110.114 155.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.591 ' H ' ' CG ' ' A' ' 58' ' ' GLU . 19.1 m -120.38 168.61 10.17 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.073 -1.084 . . . . 1.75 108.073 163.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.8 -39.63 70.83 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 121.171 1.247 . . . . 1.09 112.032 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 55' ' ' SER . 1.3 mp0 -69.13 -19.88 64.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.811 0.301 . . . . 2.7 111.811 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.591 ' CG ' ' H ' ' A' ' 55' ' ' SER . 17.6 mm-40 -60.94 -40.36 92.97 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.046 0.451 . . . . 2.3 110.271 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.45 80.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.59 -0.732 . . . . 0.78 110.16 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 49.8 mt -69.8 -39.62 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 1.03 111.477 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -67.27 -41.44 85.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.836 0.35 . . . . 3.35 110.107 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -61.84 -38.58 88.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.81 -0.811 . . . . 1.22 108.81 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -58.47 -49.34 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.194 -0.912 . . . . 0.49 111.344 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.72 -37.17 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 2.12 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.76 -45.67 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.187 -0.46 . . . . 2.21 110.462 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.82 -39.74 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.66 110.53 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 0.63 111.376 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.91 -29.31 19.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 2.46 110.689 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -91.37 -22.8 20.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.972 -0.558 . . . . 2.41 112.304 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 118.81 69.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.563 0.221 . . . . 0.78 110.751 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -84.28 108.02 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.275 1.983 . . . . 1.34 112.023 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.72 -173.13 21.35 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.813 -0.63 . . . . 0.77 111.734 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.4 118.49 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.359 2.039 . . . . 0.9 111.254 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.92 123.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.99 0.424 . . . . 1.5 110.592 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -108.11 131.06 55.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.429 -0.582 . . . . 2.58 109.429 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 t -105.33 125.41 60.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.999 0.428 . . . . 1.16 110.459 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 115.56 30.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.173 -0.677 . . . . 1.35 109.173 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 62.4 t -104.03 115.51 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.902 0.382 . . . . 1.01 110.499 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.18 106.34 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.5 mm -79.19 126.19 38.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.008 -0.738 . . . . 1.4 109.008 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.4 t -67.09 155.5 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.663 -0.244 . . . . 2.07 110.951 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.38 -58.91 9.01 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.892 -0.594 . . . . 1.09 114.153 -172.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 p -84.01 97.59 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.217 0.532 . . . . 2.22 111.548 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . -102.76 146.59 28.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.13 109.923 173.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.99 152.92 63.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.93 -0.396 . . . . 2.07 109.93 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -44.93 -51.31 7.64 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.734 2.956 . . . . 1.3 113.861 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.88 -44.5 63.67 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.902 -0.319 . . . . 2.43 110.69 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.77 -34.25 69.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 2.37 111.345 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' A' ' 84' ' ' ALA . 62.4 mttm -56.26 -50.39 71.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.108 0.48 . . . . 2.81 110.632 175.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -75.17 -35.55 61.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.622 -0.717 . . . . 1.33 111.108 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HE2' ' OE2' ' A' ' 57' ' ' GLU . 56.6 mtpt -65.21 -38.23 89.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 2.41 110.851 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.12 -29.8 67.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.993 0.425 . . . . 0.78 110.043 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -66.29 -51.1 60.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.861 -0.608 . . . . 2.44 110.455 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -59.58 -39.62 84.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.308 -0.405 . . . . 2.85 110.908 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.85 87.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.06 -0.518 . . . . 0.63 110.812 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.79 92.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.999 -0.546 . . . . 0.64 111.271 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.7 -39.54 93.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 2.62 111.003 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.25 -42.48 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 2.66 110.229 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.51 -13.21 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.614 . . . . 0.58 111.827 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -60.06 -39.88 87.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.565 -0.288 . . . . 3.77 111.195 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -75.64 -3.83 36.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.166 0.508 . . . . 3.24 110.762 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -103.12 13.02 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.766 -0.652 . . . . 2.65 109.885 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 62.4 t30 62.68 39.71 10.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.87 0.843 . . . . 2.0 110.512 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 91.4 t -109.64 134.0 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 0.99 109.757 176.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -126.74 134.99 50.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.457 -0.338 . . . . 4.06 110.687 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.28 139.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.191 0.519 . . . . 1.58 110.661 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -137.44 111.57 8.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.586 -0.734 . . . . 3.0 109.268 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 m -77.37 135.53 38.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.801 0.334 . . . . 0.86 110.375 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 115' ' ' ALA . 93.9 t -123.71 110.63 26.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.696 -0.684 . . . . 1.51 110.294 -178.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.3 t -104.96 -15.13 15.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.34 0.591 . . . . 1.55 109.696 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.0 m -135.18 130.53 19.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 1.52 109.996 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.15 -29.51 16.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.987 3.125 . . . . 1.05 114.457 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.91 -25.38 65.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.749 -0.205 . . . . 2.48 111.148 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.8 -57.2 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.683 0.278 . . . . 2.7 110.703 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.549 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -56.1 -50.65 70.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.7 111.577 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.58 -32.75 71.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 2.33 110.744 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -76.21 -49.99 15.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.723 -0.671 . . . . 3.61 110.824 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -64.37 -46.61 82.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 3.39 111.572 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.88 -39.92 59.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.81 110.731 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.9 tttm -64.46 -46.09 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.506 -0.315 . . . . 2.76 110.433 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.41 -38.4 91.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.605 0.241 . . . . 2.57 110.864 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -69.06 -26.04 64.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 3.02 110.712 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.5 m -83.25 -11.01 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 1.4 110.521 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 81.7 mm-40 -87.11 -6.98 58.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 4.14 110.249 177.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.652 -0.689 . . . . 6.29 110.582 -179.182 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.987 -0.375 . . . . 3.09 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -101.89 97.25 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.566 0.698 . . . . 3.31 110.801 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 123' ' ' SER . 71.3 mt -91.37 120.31 32.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.87 . . . . 1.76 109.198 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 34.4 t -111.49 120.61 62.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.821 -0.437 . . . . 0.46 109.821 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.8 t -123.33 113.67 38.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.949 0.404 . . . . 0.52 110.728 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 5.7 mp -107.22 120.98 43.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.336 -0.616 . . . . 1.33 109.336 174.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 79' ' ' LEU . 2.6 pp -110.35 144.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.148 -0.621 . . . . 1.36 110.83 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 80' ' ' ILE . 25.3 t -88.87 137.25 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.119 -0.946 . . . . 1.37 109.412 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -64.39 166.3 8.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.159 1.17 . . . . 3.23 114.159 -170.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 81' ' ' THR . 5.8 t-20 179.42 -168.81 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.245 -1.798 . . . . 4.58 106.491 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -38.06 133.16 0.93 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.401 0.438 . . . . 2.29 110.731 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -61.45 -18.1 57.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.034 0.753 . . . . 3.77 113.034 -170.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.71 -39.08 90.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.068 0.461 . . . . 3.23 109.982 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.68 -49.59 62.0 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.396 -0.82 . . . . 1.39 110.331 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.44 -50.81 70.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.296 -0.865 . . . . 0.97 111.255 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 46.8 mm-40 -61.14 -52.05 66.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.616 . . . . 2.42 111.254 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' HE3' ' A' ' 41' ' ' MET . 13.9 tp10 -65.26 -39.04 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.546 -0.297 . . . . 2.53 111.395 -172.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.47 97.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.49 . . . . 0.61 110.677 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -68.16 -32.84 73.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 2.73 110.555 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 84.1 mttt -63.27 -35.79 81.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.052 -0.522 . . . . 2.52 110.593 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.52 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 42.7 mtt -72.25 -29.13 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.884 -0.598 . . . . 2.61 110.565 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.24 66.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.898 -0.592 . . . . 0.75 111.35 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.71 -21.32 62.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 2.57 111.146 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -79.71 -44.31 21.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 2.98 110.933 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.88 5.06 47.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.955 -0.566 . . . . 0.76 111.546 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m120 60.1 38.35 20.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.636 -0.711 . . . . 2.22 111.751 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.39 153.99 32.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.11 110.334 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -92.68 105.79 17.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.126 -0.488 . . . . 2.13 109.784 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.57 134.1 52.32 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.14 0.495 . . . . 1.49 110.781 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.434 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 4.2 mp -116.52 126.79 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.754 . . . . 1.31 109.626 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -87.33 106.97 18.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.11 0.481 . . . . 1.2 110.892 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 53' ' ' PRO . 54.7 t -104.35 145.34 30.49 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.587 . . . . 1.95 111.361 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -37.18 163.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 124.591 3.527 . . . . 2.29 115.509 165.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' HA2' HG13 ' A' ' 28' ' ' VAL . . . -68.71 12.41 1.04 Allowed Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 112.754 -2.021 . . . . 2.14 114.569 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -110.32 118.63 48.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 1.75 110.789 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.64 -27.55 81.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.006 2.471 . . . . 1.09 111.996 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.68 -54.28 19.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.705 -0.68 . . . . 2.7 110.561 171.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.15 -44.28 84.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.3 110.425 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.99 -60.98 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.883 0.697 . . . . 0.78 112.883 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 HG12 HG11 ' A' ' 78' ' ' VAL . 20.7 mt -69.31 -31.74 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 1.03 111.274 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 ttp-105 -68.01 -41.36 82.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.126 -0.488 . . . . 3.35 109.712 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.8 tp -71.33 -30.75 66.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 1.22 110.191 177.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.68 91.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.49 110.767 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -67.24 -37.5 83.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.521 . . . . 2.12 110.637 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.69 -57.22 13.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.788 -0.642 . . . . 2.21 110.6 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.71 -34.73 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.66 110.79 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -61.16 -44.15 97.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.069 0.462 . . . . 0.63 111.724 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' OE2' ' HE3' ' A' ' 69' ' ' LYS . 31.6 tt0 -72.68 -37.71 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 2.46 110.761 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HE3' ' OE2' ' A' ' 68' ' ' GLU . 33.2 mmtp -89.08 1.69 55.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 2.41 112.107 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.93 123.05 68.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.548 0.213 . . . . 0.78 110.95 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.12 108.78 2.07 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.171 1.914 . . . . 1.34 112.318 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 74' ' ' VAL . . . 133.9 -170.85 22.31 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.045 -0.598 . . . . 0.77 111.816 175.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.67 117.95 5.24 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.176 1.917 . . . . 0.9 110.384 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' GLY . 79.1 t -113.41 126.56 70.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.179 0.514 . . . . 1.5 111.747 -171.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 22.7 tptm -133.89 117.53 16.89 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.378 -0.971 . . . . 2.58 108.378 173.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG21 ' HB2' ' A' ' 67' ' ' ALA . 14.1 t -113.99 147.62 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.12 0.486 . . . . 1.16 111.512 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.05 124.16 17.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.694 -0.854 . . . . 1.35 108.694 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 13.5 p -114.59 128.56 71.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.458 0.647 . . . . 1.01 110.168 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' HB2' HG22 ' A' ' 27' ' ' ILE . 2.8 mm? -107.69 99.53 9.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.323 -0.853 . . . . 1.37 110.827 -171.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HA ' ' HB ' ' A' ' 28' ' ' VAL . 1.6 tt -81.66 124.47 39.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.435 -0.579 . . . . 1.4 109.435 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 30' ' ' ASN . 61.0 m -108.51 124.21 50.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.061 -0.518 . . . . 2.07 111.04 -170.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.59 15.86 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.988 -0.625 . . . . 1.09 111.955 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -110.09 135.75 50.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.895 -0.409 . . . . 2.22 109.895 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.92 115.5 21.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 1.13 111.151 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -69.98 152.16 95.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 2.07 109.877 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -41.54 -49.68 5.05 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.686 2.924 . . . . 1.3 114.296 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 5.4 m-20 -60.17 -54.91 40.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 2.43 110.745 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 91' ' ' LYS . 13.5 mm-40 -69.81 -26.74 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.094 -0.503 . . . . 2.37 111.398 -176.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -63.57 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.513 0.673 . . . . 2.81 109.223 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 m -75.35 -33.62 61.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.241 -0.89 . . . . 1.33 110.355 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 33.2 mmtp -62.87 -45.1 94.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.992 -0.549 . . . . 2.41 109.957 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.52 75.21 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.119 -0.946 . . . . 0.78 110.857 -171.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -35.15 80.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.398 -0.364 . . . . 2.44 111.257 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -75.44 -53.66 8.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.021 -0.536 . . . . 2.85 110.573 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.0 89.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.069 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -60.48 -39.7 88.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.743 0.306 . . . . 0.64 110.992 178.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.51 -41.13 84.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.769 -0.65 . . . . 2.62 110.575 -178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.49 -39.92 67.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.907 -0.588 . . . . 2.66 110.41 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -73.94 -12.19 60.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.58 112.151 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 38.9 mtp180 -55.44 -26.76 43.92 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.739 0.274 . . . . 3.77 111.739 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.22 -33.1 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 3.24 110.963 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.466 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 30.0 m-90 -102.77 9.2 39.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 2.65 110.738 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER 64.62 36.94 8.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.544 -0.753 . . . . 2.0 111.347 178.258 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.556 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 39.8 t -82.16 107.25 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.99 109.987 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -92.5 143.69 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 4.06 111.091 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.421 HG22 ' CG1' ' A' ' 78' ' ' VAL . 47.4 t -110.69 123.75 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.56 . . . . 1.58 110.217 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -128.37 145.66 51.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.848 0.356 . . . . 3.0 110.628 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 m -100.52 133.65 44.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.051 -0.522 . . . . 0.86 111.011 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.86 110.4 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.15 -0.477 . . . . 1.51 110.052 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m -99.86 -27.6 13.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.349 0.595 . . . . 1.55 109.975 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.1 p -135.95 142.4 40.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.27 -0.641 . . . . 1.52 109.27 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.92 -18.81 36.84 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.199 2.599 . . . . 1.05 113.856 -172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.44 -20.93 61.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 2.48 110.625 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.63 -37.67 62.74 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.969 -0.382 . . . . 2.7 109.969 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.89 69.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.7 110.677 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -59.3 -32.64 70.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.001 0.429 . . . . 2.33 110.411 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -73.08 -59.2 2.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 3.61 111.156 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 35.2 m95 -66.52 -33.19 75.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.479 0.548 . . . . 3.39 112.479 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.82 -46.55 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.808 -0.357 . . . . 0.81 110.487 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HA ' ' OG ' ' A' ' 123' ' ' SER . 63.8 mttp -70.86 -34.38 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 2.76 110.998 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.72 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 2.57 109.791 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 93.4 t80 -78.87 -36.03 42.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.009 -0.996 . . . . 3.02 110.983 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 120' ' ' LYS . 25.4 p -81.2 -54.74 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.4 111.538 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -145.61 -80.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.778 -0.192 . . . . 4.14 110.659 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.244 0.8 0 CA-C-O 118.668 -0.682 . . . . 6.29 110.789 -179.513 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.933 0.397 . . . . 3.09 110.055 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.529 ' NH1' ' HA ' ' A' ' 22' ' ' ARG . 10.4 mmm180 -116.61 98.31 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.47 -0.332 . . . . 3.31 111.046 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.86 100.22 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.555 -0.535 . . . . 1.76 109.555 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -106.27 132.9 52.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.968 -0.56 . . . . 0.46 111.476 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 110.56 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.52 109.913 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD23 ' HB ' ' A' ' 50' ' ' ILE . 19.8 mt -106.59 113.2 26.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.916 -0.584 . . . . 1.33 109.978 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.6 tt -116.64 133.5 63.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.43 0.633 . . . . 1.36 111.989 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 80' ' ' ILE . 2.7 p -124.58 103.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.243 -0.89 . . . . 1.37 109.037 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.535 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 59.1 m -145.76 -178.82 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.248 0.462 . . . . 3.23 112.248 -174.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -78.21 -170.84 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.226 -0.897 . . . . 4.58 111.189 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -8.89 128.3 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.023 1.729 . . . . 2.29 114.911 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 57.9 mtpt -60.7 -14.78 23.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.741 -1.118 . . . . 3.77 113.529 -171.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -53.28 -44.37 68.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.071 0.462 . . . . 3.23 110.54 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -41.38 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.603 -0.726 . . . . 1.39 110.748 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 64.8 mt -65.13 -47.44 87.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.97 111.275 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 mm-40 -58.26 -43.65 88.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 2.42 110.556 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' MET . 43.6 tt0 -61.96 -42.71 99.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.241 -0.436 . . . . 2.53 110.294 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.5 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.61 110.834 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 67.1 mtp180 -63.61 -36.48 83.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 2.73 110.753 177.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 75.7 mmtt -63.06 -31.84 73.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 2.52 110.446 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.4 mmt -76.12 -37.44 58.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 2.61 109.669 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.16 72.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.419 -0.81 . . . . 0.75 111.441 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -62.35 -27.17 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 2.57 111.027 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -69.54 -60.27 2.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.215 -0.448 . . . . 2.98 111.255 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.84 16.68 15.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.054 0.454 . . . . 0.76 111.711 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 60.39 58.6 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.282 -0.872 . . . . 2.22 111.959 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.87 137.27 41.29 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.283 -1.006 . . . . 1.11 108.283 170.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 12.2 tt0 -81.39 97.97 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.213 0.53 . . . . 2.13 109.747 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 116.64 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.318 -0.856 . . . . 1.49 109.737 -176.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HB ' HD23 ' A' ' 26' ' ' LEU . 36.2 mm -126.19 131.29 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 1.31 109.704 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 p -85.59 130.29 34.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.209 -0.451 . . . . 1.2 111.301 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 53' ' ' PRO . 66.9 t -105.06 143.15 26.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.755 -0.657 . . . . 1.95 111.016 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.613 ' O ' HG12 ' A' ' 52' ' ' VAL . 9.2 Cg_endo -53.44 161.61 3.9 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.019 2.479 . . . . 2.29 111.951 168.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.18 12.79 0.41 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.334 0.894 . . . . 2.14 115.334 -170.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -108.99 118.47 51.36 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 117.46 0.63 . . . . 1.75 110.423 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HD2' ' OE1' ' A' ' 88' ' ' GLU . 46.2 Cg_exo -58.26 -26.42 76.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.011 2.474 . . . . 1.09 112.372 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.492 -0.776 . . . . 2.7 110.479 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 4.8 tp10 -67.84 -36.7 80.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.459 -177.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.8 86.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.78 111.203 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 95' ' ' ALA . 50.0 mm -72.08 -39.89 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.082 -0.508 . . . . 1.03 111.029 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 61' ' ' ARG . 56.2 mtt180 -73.13 -27.15 61.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.45 -0.341 . . . . 3.35 111.496 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -67.59 -40.94 84.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.709 -0.849 . . . . 1.22 108.709 173.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.67 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.47 -0.786 . . . . 0.49 110.406 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.712 . . . . 2.12 110.569 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.7 -55.57 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.728 -0.669 . . . . 2.21 110.605 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.84 -35.97 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 0.66 111.276 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' A' ' 74' ' ' VAL . . . -60.6 -36.01 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.332 . . . . 0.63 111.843 -178.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.1 -22.59 20.64 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.835 -0.346 . . . . 2.46 111.725 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -83.22 -29.07 28.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.704 0.288 . . . . 2.41 111.361 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 22' ' ' ARG . . . -80.76 122.38 82.07 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.521 -0.309 . . . . 0.78 111.296 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.02 108.79 1.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.296 1.998 . . . . 1.34 112.038 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.11 -155.98 18.86 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.77 112.234 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.56 119.83 6.73 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.827 2.351 . . . . 0.9 111.672 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 67' ' ' ALA . 4.9 t -118.71 137.18 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.825 0.345 . . . . 1.5 110.407 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -141.75 117.16 10.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.903 -0.777 . . . . 2.58 108.903 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 104' ' ' VAL . 18.8 t -119.07 140.29 43.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.295 0.569 . . . . 1.16 111.664 -174.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 tp -123.41 124.86 43.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 1.35 109.402 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.8 m -105.99 129.03 59.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.217 0.532 . . . . 1.01 110.523 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 107' ' ' ARG . 74.2 mt -109.17 100.01 9.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.748 -0.66 . . . . 1.37 110.326 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.489 ' HA ' HG13 ' A' ' 28' ' ' VAL . 37.2 pt -94.4 133.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.826 -0.435 . . . . 1.4 109.826 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.535 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 5.5 t -92.05 152.2 20.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.037 0.446 . . . . 2.07 111.647 -175.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.38 -146.65 50.48 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.462 -0.79 . . . . 1.09 112.803 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 t -109.93 143.31 40.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.546 -0.539 . . . . 2.22 109.546 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 125.12 28.5 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.54 -0.541 . . . . 1.13 109.54 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.08 156.5 10.27 Favored Pre-proline 0 C--O 1.222 -0.381 0 CA-C-N 115.943 -0.571 . . . . 2.07 110.166 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -37.27 -50.88 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.674 2.916 . . . . 1.3 114.203 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -71.79 -45.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 2.43 110.795 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 56' ' ' PRO . 8.3 mm-40 -63.2 -30.44 71.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.781 -0.645 . . . . 2.37 111.014 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.63 -52.42 60.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 2.81 111.256 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -73.7 -26.11 60.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.038 0.447 . . . . 1.33 110.145 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -69.14 -50.23 49.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 2.41 110.437 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.72 -20.77 64.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.78 110.473 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -71.75 -48.21 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 2.44 109.825 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.5 -39.88 88.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 2.85 110.348 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.5 -34.68 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.042 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.87 90.3 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.64 111.609 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -73.03 -23.36 60.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 2.62 110.961 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.707 ' O ' ' HE3' ' A' ' 101' ' ' LYS . 8.7 tp10 -71.28 -54.88 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.612 -0.514 . . . . 2.66 109.612 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -69.82 -13.99 62.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.186 0.517 . . . . 0.58 111.262 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.87 -26.13 65.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.77 110.761 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HE3' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.6 -23.19 65.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.463 -0.335 . . . . 3.24 111.6 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -112.78 24.54 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 2.65 111.249 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 103' ' ' ASN . 10.2 m120 60.36 37.36 20.18 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.939 -0.573 . . . . 2.0 111.91 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 40.1 t -93.86 109.65 22.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.635 -0.506 . . . . 0.99 109.635 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -92.4 134.72 34.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 4.06 110.807 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -91.69 129.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 1.58 110.16 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.435 ' HB3' HD23 ' A' ' 79' ' ' LEU . 3.0 tpm_? -137.11 155.82 49.14 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.865 -0.42 . . . . 3.0 109.865 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 26.2 m -116.28 135.6 53.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.86 111.122 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.4 t -126.14 118.47 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 1.51 110.716 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -118.77 -7.55 10.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.853 0.358 . . . . 1.55 110.875 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.1 p -153.06 148.5 20.23 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 1.52 110.78 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -45.7 -45.62 16.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.119 2.546 . . . . 1.05 113.572 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.22 -42.22 51.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.883 -0.599 . . . . 2.48 112.104 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.2 -55.34 29.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.126 -0.488 . . . . 2.7 110.568 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.75 70.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.39 . . . . 0.7 110.856 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -57.9 -47.74 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.689 -0.687 . . . . 2.33 111.503 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 117' ' ' ARG . 11.6 ptp180 -78.74 -27.94 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.884 -0.326 . . . . 3.61 111.491 -175.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -69.43 -40.16 77.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.788 0.328 . . . . 3.39 110.264 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -36.1 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.81 110.135 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -58.17 -55.53 33.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 2.76 111.311 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.96 -33.46 74.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.703 0.287 . . . . 2.57 111.109 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -66.43 -38.86 88.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 3.02 110.561 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -75.17 -53.86 8.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 1.4 110.364 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 53.2 58.45 5.26 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.578 0.704 . . . . 4.14 109.69 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.289 -0.863 . . . . 6.29 109.989 -176.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.463 ' SD ' ' HE3' ' A' ' 75' ' ' LYS . 52.7 tpp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.081 -0.34 . . . . 3.09 110.081 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.589 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 4.3 mmp_? -100.61 102.71 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 3.31 111.153 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.49 113.1 25.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.532 -0.544 . . . . 1.76 109.532 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 t -116.4 135.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.749 -0.66 . . . . 0.46 110.186 -176.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 42.4 t -132.03 119.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.982 -0.377 . . . . 0.52 109.982 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 5.3 mp -105.42 116.02 31.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.818 -0.808 . . . . 1.33 108.818 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 29' ' ' SER . 0.3 OUTLIER -102.43 126.59 56.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.775 -0.648 . . . . 1.36 109.843 -173.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.08 97.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.48 -1.304 . . . . 1.37 107.48 170.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB2' HD12 ' A' ' 27' ' ' ILE . 24.0 t -116.01 141.69 47.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.72 0.771 . . . . 3.23 112.766 -165.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -78.44 -170.12 1.93 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.071 -1.422 . . . . 4.58 108.242 164.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t0 -8.01 126.37 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.996 1.435 . . . . 2.29 114.274 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.25 -13.71 5.67 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.527 0.936 . . . . 3.77 113.527 -170.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' A' ' 31' ' ' ASP . 49.1 mttp -56.36 -32.23 64.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.073 0.463 . . . . 3.23 110.381 174.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 81' ' ' THR . 29.9 tp -76.73 -45.1 30.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 1.39 110.399 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.6 -46.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.648 -0.706 . . . . 0.97 110.513 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 52.6 mm-40 -52.32 -62.53 1.58 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 2.42 111.426 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -56.14 -42.52 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 2.53 111.39 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.7 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.61 111.153 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -71.74 -32.09 67.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 2.73 110.883 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 46.3 mmtm -56.5 -50.66 71.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.056 -0.52 . . . . 2.52 111.036 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.6 mmt -74.52 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 2.61 111.272 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.5 75.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 0.75 110.891 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.9 -37.23 83.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.987 0.422 . . . . 2.57 110.322 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.06 -30.71 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 2.98 111.328 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.48 11.44 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.76 111.434 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 61.68 51.85 3.79 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.753 0.787 . . . . 2.22 110.642 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.543 HD11 ' OG ' ' A' ' 123' ' ' SER . 27.4 mt -115.47 156.21 26.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.574 -0.739 . . . . 1.11 109.197 175.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . 4.3 tp10 -101.03 100.03 10.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.031 -0.359 . . . . 2.13 110.031 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.6 tt -108.58 127.67 54.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 1.49 110.367 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.603 HG22 HG23 ' A' ' 52' ' ' VAL . 63.0 mt -122.22 137.84 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.355 -0.839 . . . . 1.31 109.857 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.489 HG22 ' HD3' ' A' ' 53' ' ' PRO . 26.0 m -109.82 100.83 9.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.583 0.23 . . . . 1.2 110.698 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 50' ' ' ILE . 58.5 t -126.8 82.06 68.08 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.045 0.45 . . . . 1.95 110.601 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HD3' HG22 ' A' ' 51' ' ' THR . 87.4 Cg_endo -90.23 104.14 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.483 2.122 . . . . 2.29 113.365 171.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.42 -51.04 0.2 Allowed Glycine 0 CA--C 1.506 -0.504 0 C-N-CA 119.296 -1.43 . . . . 2.14 109.723 160.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -119.22 158.26 48.93 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.917 -1.142 . . . . 1.75 107.917 157.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' ILE . 68.7 Cg_exo -56.69 -40.99 80.47 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 121.206 1.27 . . . . 1.09 110.553 168.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.92 -30.07 71.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.157 -0.929 . . . . 2.7 111.788 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.96 -44.7 94.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.947 0.404 . . . . 2.3 110.933 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.8 -35.25 74.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 0.78 110.651 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' PRO . 13.3 mm -64.66 -41.41 92.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.122 0.487 . . . . 1.03 110.294 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -74.49 -30.69 61.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 3.35 110.599 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.0 tp -73.05 -30.3 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 1.22 110.196 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.44 74.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.49 110.576 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -63.02 -39.18 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.387 -0.824 . . . . 2.12 110.762 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 12.9 mm-40 -69.73 -48.97 57.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 2.21 110.718 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 HD11 ' A' ' 26' ' ' LEU . 72.1 mt -61.19 -38.99 80.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.66 111.099 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.3 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.63 111.28 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.24 -46.23 56.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.216 0.531 . . . . 2.46 110.694 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 14.6 mmmm -77.02 -17.43 58.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.621 . . . . 2.41 111.955 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.49 120.41 76.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.21 -0.292 . . . . 0.78 110.21 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -80.51 108.08 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.137 1.891 . . . . 1.34 112.236 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.52 -167.27 23.95 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.888 -0.673 . . . . 0.77 111.934 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.5 119.27 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.503 2.135 . . . . 0.9 111.397 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.62 137.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.264 -0.426 . . . . 1.5 110.961 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HE3' ' SD ' ' A' ' 21' ' ' MET . 90.3 mttt -127.83 113.86 16.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.494 -0.928 . . . . 2.58 108.494 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 10.5 t -114.51 135.31 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.216 0.531 . . . . 1.16 111.497 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 20.5 mt -115.76 142.55 46.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.965 -0.561 . . . . 1.35 109.726 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 26' ' ' LEU . 2.7 m -128.09 118.53 48.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.918 -0.583 . . . . 1.01 109.64 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.5 mt -109.41 124.44 51.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.617 -0.72 . . . . 1.37 110.469 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.1 pt -104.12 145.29 13.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.415 -0.587 . . . . 1.4 109.415 175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 32.1 p -114.35 151.56 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.025 0.441 . . . . 2.07 112.016 -173.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.13 -156.66 50.47 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.687 -0.688 . . . . 1.09 111.924 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -100.62 105.49 16.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.921 0.391 . . . . 2.22 110.554 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.29 120.64 16.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 1.13 109.716 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.34 158.5 56.74 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.455 . . . . 2.07 110.47 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -46.21 11.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.855 2.37 . . . . 1.3 112.846 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 5.7 m-20 -60.83 -35.99 77.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 2.43 111.249 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HB3' ' HG2' ' A' ' 56' ' ' PRO . 50.7 mt-10 -81.12 -43.58 19.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.082 -0.508 . . . . 2.37 110.515 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.24 -40.73 95.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.496 -0.774 . . . . 2.81 111.192 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -62.15 -48.52 79.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 1.33 110.941 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 95.5 mttt -59.94 -41.5 91.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 2.41 110.69 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.12 70.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.78 110.718 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.74 -41.43 78.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 2.44 110.59 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -68.38 -44.8 74.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 2.85 110.38 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.16 80.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.63 110.353 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -61.15 -30.64 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.64 111.254 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.96 -48.78 28.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 2.62 110.387 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.61 -39.33 84.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 2.66 110.699 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 104' ' ' VAL . . . -79.39 -13.57 59.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.046 -0.525 . . . . 0.58 111.989 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 51.5 ttm-85 -55.92 -28.62 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 3.77 110.552 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.63 -18.3 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.681 -0.691 . . . . 3.24 111.11 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -96.98 8.2 44.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.308 -0.406 . . . . 2.65 110.938 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.4 t30 66.69 34.96 5.43 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.519 -0.764 . . . . 2.0 111.01 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 8.8 p -105.46 139.22 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.99 109.76 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.8 131.59 49.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.333 -0.394 . . . . 4.06 110.673 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.494 ' HA ' HG23 ' A' ' 78' ' ' VAL . 21.6 t -96.0 124.17 48.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 1.58 110.86 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.62 143.03 50.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.576 -0.528 . . . . 3.0 109.576 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 m -99.37 125.71 45.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.787 0.327 . . . . 0.86 110.509 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' THR . 31.5 m -123.87 145.63 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 1.51 110.298 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -118.3 -36.47 3.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 1.55 111.108 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -116.03 150.81 45.73 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.068 -0.515 . . . . 1.52 110.467 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.28 -32.48 88.19 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.26 2.64 . . . . 1.05 113.12 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.78 -36.03 77.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.975 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.26 -53.43 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 2.7 110.497 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.0 88.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.7 110.832 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.35 -36.07 79.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.595 . . . . 2.33 110.498 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -65.81 -50.26 65.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.651 . . . . 3.61 110.701 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -61.25 -44.68 96.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 3.39 111.206 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.64 -52.31 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.325 . . . . 0.81 111.441 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -62.71 -39.79 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 2.76 110.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -64.17 -47.24 80.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 2.57 110.326 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.75 -24.85 67.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 3.02 111.52 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.543 ' OG ' HD11 ' A' ' 47' ' ' LEU . 50.2 m -59.7 -36.55 76.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.183 -0.462 . . . . 1.4 111.875 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 70.16 -59.52 0.51 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.474 0.709 . . . . 4.14 111.819 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.976 -0.535 . . . . 6.29 110.639 -177.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.838 0.351 . . . . 3.09 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HB3' HG12 ' A' ' 74' ' ' VAL . 0.9 OUTLIER -113.32 96.42 5.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.389 0.614 . . . . 3.31 110.995 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -108.94 115.29 29.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.475 -0.784 . . . . 1.76 109.071 174.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 76' ' ' VAL . 44.3 t -107.47 133.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.778 -0.646 . . . . 0.46 110.423 -174.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 9.2 t -124.75 109.96 23.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 0.52 110.543 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.1 121.6 45.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.1 -0.5 . . . . 1.33 109.776 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.555 HG23 HG22 ' A' ' 51' ' ' THR . 6.1 tt -125.52 145.77 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 1.36 110.925 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.95 151.77 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 1.37 109.856 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 6.0 p -62.43 138.6 58.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.444 0.535 . . . . 3.23 112.444 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -156.7 -172.7 4.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.289 -1.374 . . . . 4.58 107.289 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.59 139.08 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.392 -0.596 . . . . 2.29 109.392 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -62.33 -19.03 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.842 -0.617 . . . . 3.77 112.184 -171.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -60.9 -38.08 84.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.963 0.411 . . . . 3.23 110.268 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.43 -49.19 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.759 -0.655 . . . . 1.39 110.603 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -64.5 -41.25 91.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.855 -0.611 . . . . 0.97 111.109 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 41.4 mt-10 -60.69 -55.15 36.73 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.121 -0.232 . . . . 2.42 111.139 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -65.11 -30.56 71.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.317 . . . . 2.53 111.244 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.17 88.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.61 110.266 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -64.72 -42.31 95.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 2.73 111.476 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 74.8 mmtt -57.87 -41.07 81.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.833 0.349 . . . . 2.52 110.448 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 116' ' ' LYS . 86.4 mmm -72.58 -38.8 67.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.907 -0.588 . . . . 2.61 111.087 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -65.74 -58.65 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.491 . . . . 0.75 110.884 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.38 -23.31 66.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 2.57 110.97 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -58.16 -43.85 87.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.14 0.495 . . . . 2.98 110.672 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.01 30.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 0.76 110.898 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.09 42.58 9.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.468 -0.787 . . . . 2.22 110.884 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -92.41 145.91 24.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 176.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.42 99.68 11.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.752 0.787 . . . . 2.13 110.858 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.8 tm? -87.95 116.95 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.707 -1.133 . . . . 1.49 108.791 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG22 HG23 ' A' ' 52' ' ' VAL . 40.2 mm -129.44 135.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.909 0.385 . . . . 1.31 110.757 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.555 HG22 HG23 ' A' ' 27' ' ' ILE . 24.4 p -103.75 100.88 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.472 . . . . 1.2 110.799 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 50' ' ' ILE . 41.1 t -121.78 82.33 41.98 Favored Pre-proline 0 N--CA 1.465 0.324 0 C-N-CA 120.488 -0.485 . . . . 1.95 110.901 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HB3' ' H ' ' A' ' 29' ' ' SER . 89.0 Cg_endo -90.84 104.87 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.847 2.365 . . . . 2.29 113.885 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.76 -52.67 0.15 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.705 -1.712 . . . . 2.14 111.372 160.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.427 ' H ' ' HB2' ' A' ' 58' ' ' GLU . 36.7 m -121.55 170.76 7.02 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.956 -0.757 . . . . 1.75 108.956 164.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' ILE . 22.0 Cg_exo -63.09 -48.47 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.238 1.292 . . . . 1.09 110.348 166.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -24.49 67.74 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.809 -0.632 . . . . 2.7 111.639 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 55' ' ' SER . 7.7 tp10 -56.72 -51.14 69.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 2.3 110.57 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.03 -32.28 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.78 110.956 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 106' ' ' VAL . 6.4 mm -70.26 -44.96 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.195 0.522 . . . . 1.03 110.235 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 3.35 110.208 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -43.45 87.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.795 -0.817 . . . . 1.22 108.795 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.37 -49.19 78.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.33 -0.85 . . . . 0.49 110.834 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -47.73 78.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.528 -0.76 . . . . 2.12 110.019 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 36.2 tt0 -55.56 -52.44 63.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 2.21 111.168 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.46 -44.73 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.539 -0.301 . . . . 0.66 110.985 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.02 93.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.481 -0.327 . . . . 0.63 111.469 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.59 -47.69 69.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 2.46 110.841 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.8 mmtp -78.77 -10.75 59.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.932 -0.576 . . . . 2.41 111.447 -174.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' CB ' HG11 ' A' ' 74' ' ' VAL . . . -77.97 128.41 78.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.312 -0.404 . . . . 0.78 111.066 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 9.9 Cg_exo -75.4 108.83 2.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.754 2.303 . . . . 1.34 112.216 175.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 -168.32 15.22 Favored Glycine 0 C--N 1.315 -0.597 0 CA-C-N 115.658 -0.701 . . . . 0.77 113.408 171.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.29 119.54 6.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.447 2.765 . . . . 0.9 112.506 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.551 HG12 ' HB3' ' A' ' 22' ' ' ARG . 17.6 m -128.74 163.73 32.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 1.5 110.738 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -147.58 107.7 4.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.013 -0.736 . . . . 2.58 109.013 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 24' ' ' VAL . 38.5 t -100.53 127.43 53.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.092 0.472 . . . . 1.16 110.833 -176.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 69.3 tp -108.73 117.11 33.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.636 -0.711 . . . . 1.35 109.709 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 60' ' ' ILE . 46.3 t -105.83 131.68 54.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 110.066 -0.346 . . . . 1.01 110.066 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.9 mt -114.26 104.34 11.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 1.37 110.735 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.5 mt -90.07 144.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.122 -0.696 . . . . 1.4 109.122 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.0 p -71.19 157.61 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.445 -0.343 . . . . 2.07 111.903 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.98 -52.82 37.1 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.186 -0.461 . . . . 1.09 113.746 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -94.23 94.84 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.311 0.577 . . . . 2.22 111.365 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' A' ' 89' ' ' LYS . . . -103.72 156.64 17.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.401 -0.818 . . . . 1.13 108.806 168.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.19 142.48 87.29 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.212 -0.662 . . . . 2.07 109.212 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -38.47 -47.18 2.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.325 2.683 . . . . 1.3 113.74 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.48 -30.98 65.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.482 -0.326 . . . . 2.43 111.044 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 2.37 110.002 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 84' ' ' ALA . 30.8 mmtp -63.05 -41.98 99.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 2.81 110.298 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 m -60.15 -48.52 81.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 1.33 110.903 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.07 -41.17 86.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 2.41 111.437 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.39 75.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.78 110.763 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.88 -47.31 85.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 2.44 110.796 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.7 -47.71 80.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 2.85 110.415 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.17 -33.39 74.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.562 -0.744 . . . . 0.63 111.309 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.4 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.64 111.382 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -84.06 -26.68 28.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.62 110.706 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.84 -51.34 27.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.36 -0.382 . . . . 2.66 110.213 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.52 62.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.021 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -58.2 -27.49 63.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 3.77 111.165 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -61.86 -24.53 66.97 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.996 0.427 . . . . 3.24 111.004 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -100.07 22.19 11.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 2.65 110.445 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 65.79 26.84 11.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.572 -0.74 . . . . 2.0 111.115 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.2 t -93.89 134.36 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.493 . . . . 0.99 110.074 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -130.7 112.55 13.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.423 0.63 . . . . 4.06 110.354 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 60' ' ' ILE . 23.2 t -88.44 135.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 1.58 110.127 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -130.98 152.77 49.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.107 -0.331 . . . . 3.0 110.107 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -98.27 122.39 41.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.222 -0.444 . . . . 0.86 109.897 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 115' ' ' ALA . 75.3 t -109.08 118.89 57.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.276 -0.42 . . . . 1.51 110.989 -177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.3 p -93.81 -23.35 18.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 1.55 112.26 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -152.07 152.81 30.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.209 -0.307 . . . . 1.52 111.15 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.56 -37.01 90.47 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.918 2.412 . . . . 1.05 113.157 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.471 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 3.3 m-20 -58.44 -46.77 85.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.038 0.446 . . . . 2.48 110.645 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.46 -37.8 87.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 2.7 109.971 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.66 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -58.32 -58.76 7.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.812 -0.631 . . . . 0.7 111.367 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 22.3 pttp -66.01 -22.3 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 2.33 111.508 -176.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -66.93 -54.51 21.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.046 -0.354 . . . . 3.61 110.046 175.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -68.21 -32.51 72.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 3.39 111.475 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.0 mt -61.99 -42.82 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.786 -0.45 . . . . 0.81 109.786 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -59.13 -42.8 91.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.166 -0.47 . . . . 2.76 110.501 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 117' ' ' ARG . 16.8 mm-40 -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.7 -0.682 . . . . 2.57 111.495 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -84.78 -22.85 29.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.317 . . . . 3.02 111.429 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.3 t -71.95 -62.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.275 -0.421 . . . . 1.4 110.902 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -84.19 -53.12 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.258 -0.428 . . . . 4.14 110.331 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.169 -0.919 . . . . 6.29 111.162 179.21 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.4 ttp . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.849 0.357 . . . . 3.09 110.455 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -105.68 127.88 53.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.375 -0.375 . . . . 3.31 110.123 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.59 122.73 48.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.79 -0.448 . . . . 1.76 109.79 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.64 137.55 57.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.46 111.638 -172.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.729 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 15.4 t -132.03 114.67 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.52 110.169 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 66' ' ' ILE . 1.6 mm? -106.34 112.25 25.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.456 -0.942 . . . . 1.33 108.456 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 79' ' ' LEU . 32.2 pt -111.06 146.64 15.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.083 0.468 . . . . 1.36 110.916 -175.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HB ' HG22 ' A' ' 81' ' ' THR . 99.4 t -88.36 145.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.945 -0.761 . . . . 1.37 108.945 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -58.8 113.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 3.23 112.632 -171.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.638 ' HB3' HD23 ' A' ' 34' ' ' LEU . 12.0 t-20 -112.67 -170.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.719 -1.128 . . . . 4.58 108.264 174.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -45.87 140.47 3.6 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.111 0.482 . . . . 2.29 111.121 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -57.71 -27.47 62.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.324 -0.853 . . . . 3.77 112.322 -171.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 2.3 mptm? -63.4 -44.94 93.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 3.23 110.431 176.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 30' ' ' ASN . 50.2 tp -63.69 -42.17 98.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.771 -0.649 . . . . 1.39 110.619 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.501 HG23 HG21 ' A' ' 51' ' ' THR . 46.5 mm -51.7 -43.78 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.97 110.595 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -75.15 -49.2 20.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.621 -0.718 . . . . 2.42 111.277 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 20.8 mm-40 -65.72 -41.36 92.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.692 0.256 . . . . 2.53 111.692 -175.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.16 93.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.61 110.695 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 41.3 ttt180 -69.18 -36.35 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 2.73 110.171 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.9 mttt -62.97 -45.38 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 2.52 110.558 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 31.9 mmt -63.39 -36.9 85.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 2.61 110.053 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.03 94.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 0.75 111.189 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.3 mm-40 -66.33 -33.33 75.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.778 0.323 . . . . 2.57 111.013 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -72.88 -34.16 66.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.194 -0.457 . . . . 2.98 111.17 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 5.03 44.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.76 111.696 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 57.97 54.98 5.6 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.347 -0.842 . . . . 2.22 110.583 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.12 141.1 40.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.599 . . . . 1.11 109.965 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.33 98.54 8.21 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.072 -0.714 . . . . 2.13 109.072 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 tt -115.41 120.49 39.75 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.31 -0.556 . . . . 1.49 110.711 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.6 mm -116.9 138.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.343 -0.844 . . . . 1.31 110.277 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.501 HG21 HG23 ' A' ' 35' ' ' ILE . 29.7 p -90.22 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.28 0.562 . . . . 1.2 110.682 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 53' ' ' PRO . 77.3 t -92.22 144.87 29.7 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.562 -0.744 . . . . 1.95 111.108 -177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.552 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.3 162.1 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.409 2.739 . . . . 2.29 111.889 167.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.75 12.39 1.05 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.738 -0.664 . . . . 2.14 114.598 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -98.27 117.5 64.76 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 117.212 0.506 . . . . 1.75 109.873 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.39 -33.89 98.23 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.824 2.349 . . . . 1.09 112.02 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -54.69 -46.23 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 2.7 110.892 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.51 -26.95 62.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 2.3 111.776 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -65.64 -52.46 51.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.5 -0.318 . . . . 0.78 111.718 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.83 -31.51 50.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.79 0.328 . . . . 1.03 110.869 -177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.95 -26.63 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.064 -0.254 . . . . 3.35 111.048 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -36.47 38.75 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.276 -1.009 . . . . 1.22 108.276 177.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -61.65 -44.7 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.041 -0.981 . . . . 0.49 110.686 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -55.56 -41.06 72.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 2.12 110.709 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.66 -55.3 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.745 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD12 HD11 ' A' ' 26' ' ' LEU . 52.5 mt -65.97 -37.13 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 121.005 -0.278 . . . . 0.66 111.008 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.57 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.63 111.152 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' OE1' ' HE2' ' A' ' 69' ' ' LYS . 42.0 tt0 -71.39 -43.33 67.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 2.46 110.734 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' A' ' 68' ' ' GLU . 75.3 mmtt -91.76 18.72 7.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 2.41 111.477 -173.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.77 131.21 42.28 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.31 -0.405 . . . . 0.78 110.943 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.55 108.42 1.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.298 1.999 . . . . 1.34 111.768 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.99 -154.71 23.19 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.899 -0.667 . . . . 0.77 112.106 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.99 130.24 19.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.498 2.132 . . . . 0.9 111.848 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.93 128.3 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.094 0.473 . . . . 1.5 111.018 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HD2' HD21 ' A' ' 103' ' ' ASN . 32.2 mmmt -109.31 113.8 26.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.007 -0.738 . . . . 2.58 109.007 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 ' HB ' HG22 ' A' ' 104' ' ' VAL . 21.7 t -111.89 134.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.34 -0.391 . . . . 1.16 111.263 -175.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 55.7 tp -125.78 130.73 52.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 1.35 110.047 176.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.432 ' HB ' HG12 ' A' ' 106' ' ' VAL . 59.4 t -113.46 126.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.437 -0.347 . . . . 1.01 110.366 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' CG ' HG22 ' A' ' 27' ' ' ILE . 16.3 mt -104.62 99.18 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.079 -0.341 . . . . 1.37 110.079 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 108' ' ' THR . 27.5 pt -87.02 131.93 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.422 -0.585 . . . . 1.4 109.422 176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.479 HG22 ' HB ' ' A' ' 28' ' ' VAL . 12.2 t -132.18 152.56 51.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.982 0.42 . . . . 2.07 111.145 -174.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 -173.14 28.76 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.65 -0.704 . . . . 1.09 112.481 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 m -89.2 99.23 12.27 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.699 -0.482 . . . . 2.22 109.699 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.64 122.35 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.284 -0.416 . . . . 1.13 110.194 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.85 155.23 72.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.621 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -42.88 -45.07 9.09 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.824 2.349 . . . . 1.3 112.533 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 8.2 m-20 -53.9 -51.9 62.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.853 -0.612 . . . . 2.43 110.701 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.74 -30.33 66.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.579 -0.737 . . . . 2.37 111.171 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -59.23 -43.28 92.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 2.81 109.906 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.5 m -67.18 -41.07 86.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.446 -0.797 . . . . 1.33 110.461 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 29.4 mmtp -65.57 -43.46 89.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.732 -0.667 . . . . 2.41 111.609 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.621 0.248 . . . . 0.78 110.8 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -69.21 -32.15 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.059 0.457 . . . . 2.44 110.56 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -76.52 -46.23 27.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 2.85 110.4 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.44 95.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.63 110.964 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.29 70.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.899 0.381 . . . . 0.64 111.07 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.47 -47.49 72.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 2.62 110.239 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.56 -41.65 65.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.843 -0.617 . . . . 2.66 110.344 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -64.63 -24.33 67.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.844 -0.616 . . . . 0.58 111.44 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.8 -30.11 69.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 3.77 110.339 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.45 -6.77 59.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 3.24 110.509 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.84 7.95 37.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.925 -0.579 . . . . 2.65 109.711 175.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.433 HD21 ' HD2' ' A' ' 75' ' ' LYS . 56.9 t30 67.37 38.96 3.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.936 0.874 . . . . 2.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.597 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 46.2 t -109.6 137.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.139 -0.937 . . . . 0.99 110.141 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -120.98 149.8 42.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.642 0.258 . . . . 4.06 110.382 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 78' ' ' VAL . 33.8 m -122.66 141.71 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 1.58 111.145 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -140.97 147.33 38.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.369 -0.378 . . . . 3.0 110.229 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 12.0 m -97.42 130.07 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.234 0.54 . . . . 0.86 111.285 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 115' ' ' ALA . 91.2 t -105.47 125.74 60.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.444 -0.798 . . . . 1.51 109.987 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 1.55 110.54 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -148.66 147.15 23.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 1.52 110.006 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' HD22 ' A' ' 34' ' ' LEU . 66.4 Cg_exo -40.0 -50.92 3.27 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.834 3.023 . . . . 1.05 114.252 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -60.45 -30.73 69.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.322 . . . . 2.48 111.692 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.51 -38.92 88.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.062 0.458 . . . . 2.7 109.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -67.71 -48.93 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.7 111.43 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.63 -31.61 71.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 2.33 110.529 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.0 -49.19 78.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 3.61 109.985 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.87 -32.3 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 3.39 111.119 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 mm -60.63 -50.55 79.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.128 0.49 . . . . 0.81 109.948 175.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -67.49 -41.22 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.614 -0.721 . . . . 2.76 110.416 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.426 -0.806 . . . . 2.57 110.973 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -86.23 -36.66 19.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 3.02 111.42 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.7 t -64.06 -50.0 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.393 -0.367 . . . . 1.4 111.501 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.61 170.28 9.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.225 0.536 . . . . 4.14 111.988 -172.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.276 -0.875 . . . . 6.29 110.18 -178.215 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.839 -0.43 . . . . 3.09 109.839 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -118.76 137.0 53.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 3.31 111.245 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 6.6 mp -114.73 124.14 51.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 1.76 109.737 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -113.34 128.34 70.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 0.46 111.18 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 19.8 t -112.7 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.602 -0.518 . . . . 0.52 109.602 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 50' ' ' ILE . 80.0 mt -110.77 112.11 23.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.973 0.416 . . . . 1.33 109.949 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.86 130.86 53.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.205 -173.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.9 95.84 4.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.278 -0.419 . . . . 1.37 110.943 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.413 ' HB2' ' HB ' ' A' ' 81' ' ' THR . 8.2 t -175.26 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.091 -0.707 . . . . 3.23 109.091 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -140.95 83.58 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.367 0.603 . . . . 4.58 109.731 167.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 36.7 t70 -125.73 171.27 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.124 -0.944 . . . . 2.29 108.886 173.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 50.5 mtpt -88.31 -69.37 0.7 Allowed 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.165 -0.614 . . . . 3.77 110.814 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 22.3 pttm -59.13 -39.77 83.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 3.23 111.964 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.4 tm? -59.16 -44.77 92.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.172 0.51 . . . . 1.39 109.992 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.09 -46.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.579 -0.737 . . . . 0.97 111.454 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 22.5 mm-40 -52.67 -57.13 11.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.778 0.323 . . . . 2.42 111.584 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.9 mm-40 -61.72 -48.06 82.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.429 . . . . 2.53 111.081 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.86 98.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.388 . . . . 0.61 111.06 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.833 -0.621 . . . . 2.73 110.427 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -62.63 -44.81 95.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.742 -0.663 . . . . 2.52 111.31 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 25.2 mmt -62.57 -38.7 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 2.61 110.74 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.57 -51.65 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.75 110.99 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.58 -39.21 87.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.052 0.454 . . . . 2.57 110.543 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -60.83 -36.92 80.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.661 -0.699 . . . . 2.98 110.935 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.64 17.58 21.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 0.76 111.422 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 65.81 43.96 2.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.847 -0.615 . . . . 2.22 112.241 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.0 mm? -103.3 142.55 34.0 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.919 -0.4 . . . . 1.11 109.919 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -82.31 97.82 8.49 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.263 -0.643 . . . . 2.13 109.263 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 9.5 tt -109.19 127.09 53.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 1.49 110.406 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' HB ' HD23 ' A' ' 26' ' ' LEU . 27.8 mt -122.62 133.11 69.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.545 -0.752 . . . . 1.31 109.822 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -81.19 115.8 20.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.2 110.18 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 53' ' ' PRO . 74.2 t -94.27 147.24 33.0 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.018 -0.537 . . . . 1.95 110.532 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 52' ' ' VAL . 5.3 Cg_endo -48.2 161.24 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.117 2.545 . . . . 2.29 111.476 165.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.33 12.79 1.7 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 114.701 0.64 . . . . 2.14 114.701 -169.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 p -110.43 134.2 20.9 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 117.451 0.626 . . . . 1.75 110.852 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.49 -25.79 20.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 123.19 2.593 . . . . 1.09 113.692 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.16 -44.06 76.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 2.7 110.764 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.901 -0.591 . . . . 2.3 111.149 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -62.39 -53.2 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.78 111.381 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 41.8 mt -68.74 -31.89 52.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.905 -0.589 . . . . 1.03 111.18 -174.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -72.69 -29.98 63.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.778 -0.369 . . . . 3.35 110.371 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.3 tp -72.29 -32.18 66.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.298 -0.63 . . . . 1.22 109.298 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -59.38 -41.26 88.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.383 174.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.79 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 2.12 110.818 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.38 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.851 -0.613 . . . . 2.21 109.873 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.68 -41.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.66 111.758 -175.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.42 -27.69 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 0.63 111.683 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.82 -22.83 36.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.471 0.653 . . . . 2.46 110.043 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -101.96 10.26 39.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.567 -0.742 . . . . 2.41 110.865 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.01 136.8 19.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 0.78 110.881 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -86.28 108.68 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.392 2.061 . . . . 1.34 112.426 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.3 -163.03 14.25 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.787 -0.72 . . . . 0.77 112.529 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.65 133.48 39.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.001 2.467 . . . . 0.9 111.759 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.51 141.57 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.276 -0.42 . . . . 1.5 110.926 -176.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -123.69 128.51 49.74 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.25 -1.019 . . . . 2.58 108.25 169.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 104' ' ' VAL . 32.9 t -124.11 128.88 74.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.819 0.342 . . . . 1.16 110.552 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.1 tp -120.12 120.67 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 1.35 110.299 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.29 117.64 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.851 -0.613 . . . . 1.01 110.223 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.5 99.63 10.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 1.37 110.511 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.84 110.62 18.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.893 -0.594 . . . . 1.4 109.497 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 29' ' ' SER . 7.8 m -88.61 124.72 34.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.824 0.345 . . . . 2.07 110.473 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.65 160.99 34.4 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 111.458 -0.657 . . . . 1.09 111.458 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 p -70.56 122.75 20.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.946 0.403 . . . . 2.22 110.3 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.58 123.12 26.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.13 110.675 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.89 141.28 95.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.302 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -39.68 -49.83 3.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.864 3.042 . . . . 1.3 114.141 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 2.0 p-10 -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.532 0.206 . . . . 2.43 111.127 -176.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.96 -35.26 59.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 2.37 110.675 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 89' ' ' LYS . 3.3 tmmm? -65.78 -36.81 84.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.827 -0.624 . . . . 2.81 109.625 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.4 m -66.5 -43.01 86.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 1.33 110.953 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 43.1 mtmt -64.13 -38.5 91.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.129 0.49 . . . . 2.41 110.082 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.56 77.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.731 -0.668 . . . . 0.78 109.953 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -60.7 -44.94 95.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.751 -0.659 . . . . 2.44 110.179 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -61.12 -50.58 72.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.657 -0.701 . . . . 2.85 111.113 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.55 96.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 111.308 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.93 86.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.495 -0.321 . . . . 0.64 111.425 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.8 -37.05 86.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.586 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -78.12 -20.41 52.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 2.66 110.507 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.11 31.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.58 111.677 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.23 -25.89 62.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 3.77 111.624 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -61.88 -25.12 67.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 3.24 111.71 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 39.0 m0 -113.79 31.14 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 2.65 111.11 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 59.79 40.95 18.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.671 175.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 76' ' ' VAL . 46.1 t -96.38 114.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.973 -0.38 . . . . 0.99 109.973 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 3.7 mpt_? -111.83 145.27 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.194 -0.457 . . . . 4.06 110.472 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.44 134.98 54.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.276 -0.42 . . . . 1.58 110.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.33 152.72 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.315 -0.402 . . . . 3.0 110.009 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 m -113.96 128.73 56.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.022 0.439 . . . . 0.86 110.829 -175.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.62 144.83 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.008 -0.542 . . . . 1.51 110.177 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 p -112.0 -13.88 13.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.338 0.59 . . . . 1.55 110.706 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.423 ' HB2' ' OE2' ' A' ' 114' ' ' GLU . 47.8 m -150.09 159.17 35.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.412 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.58 -23.05 54.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.999 2.466 . . . . 1.05 113.279 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.6 -51.67 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.682 -0.235 . . . . 2.48 111.515 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' OE2' ' HB2' ' A' ' 111' ' ' SER . 1.8 mp0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.758 0.313 . . . . 2.7 110.295 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.11 -46.48 82.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.83 -0.623 . . . . 0.7 110.791 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 2.33 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -70.21 -46.2 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 3.61 110.923 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -63.39 -39.76 95.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 3.39 111.011 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.28 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.656 0.265 . . . . 0.81 110.435 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 2.76 110.87 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.73 -40.74 92.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.199 0.523 . . . . 2.57 109.981 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 71.9 t80 -63.92 -47.78 79.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.08 -0.963 . . . . 3.02 111.352 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 p -64.65 -31.2 72.31 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.238 -0.437 . . . . 1.4 111.247 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 59.65 83.81 0.13 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.747 0.785 . . . . 4.14 109.39 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--O 1.251 1.176 0 CA-C-N 115.176 -0.92 . . . . 6.29 110.3 -175.31 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 73' ' ' PRO . 25.8 ttt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.958 -0.386 . . . . 3.09 109.958 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -101.46 112.88 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 3.31 111.2 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.22 103.62 13.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.505 -0.554 . . . . 1.76 109.505 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 25.6 t -115.79 149.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.9 -171.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.19 116.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.649 -0.25 . . . . 0.52 110.498 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 66' ' ' ILE . 5.9 mp -106.38 119.95 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.923 -0.769 . . . . 1.33 108.923 171.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.448 HG12 ' OG ' ' A' ' 29' ' ' SER . 13.4 tt -113.86 122.62 68.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.296 0.57 . . . . 1.36 111.345 -172.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.21 99.01 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.536 -1.283 . . . . 1.37 107.536 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.465 ' CB ' HG12 ' A' ' 35' ' ' ILE . 3.0 m -105.66 142.35 35.55 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.377 0.88 . . . . 3.23 113.377 -163.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -79.17 -169.74 1.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.316 -1.311 . . . . 4.58 108.746 165.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -23.12 134.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.619 0.97 . . . . 2.29 113.619 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 57.2 mtpt -58.9 -17.96 28.97 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.283 1.216 . . . . 3.77 114.283 -166.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.69 -36.21 76.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.889 0.313 . . . . 3.23 110.698 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 27' ' ' ILE . 1.8 tt -69.02 -42.86 75.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.418 -0.356 . . . . 1.39 110.262 176.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 29' ' ' SER . 43.8 mt -56.55 -44.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.7 . . . . 0.97 110.489 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 38.6 mt-10 -55.31 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 2.42 111.425 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.42 -32.29 73.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.551 -0.295 . . . . 2.53 111.756 -175.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.99 65.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.905 0.383 . . . . 0.61 110.998 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -66.98 -35.37 79.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 2.73 110.922 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.0 mttt -59.85 -37.91 80.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 2.52 110.754 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.99 -35.14 64.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 2.61 110.837 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.79 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.336 0.589 . . . . 0.75 110.247 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.31 -38.23 90.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 2.57 109.936 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -71.4 -22.96 61.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 2.98 110.488 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.17 8.7 42.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.853 -0.612 . . . . 0.76 111.323 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 59.22 38.92 23.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.518 0.675 . . . . 2.22 110.764 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.9 mt -102.48 168.03 9.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.782 -0.645 . . . . 1.11 110.351 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -109.0 101.33 10.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.069 -0.715 . . . . 2.13 109.069 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -104.93 128.49 53.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.383 0.611 . . . . 1.49 110.725 -176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.1 mt -117.14 130.0 72.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.11 -0.95 . . . . 1.31 110.074 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.8 p -101.96 99.09 9.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.163 -0.472 . . . . 1.2 111.377 -177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.69 82.16 45.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 1.95 110.326 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HB3' ' H ' ' A' ' 29' ' ' SER . 92.1 Cg_endo -90.79 102.41 0.27 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 122.136 1.89 . . . . 2.29 113.602 170.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.95 -51.89 0.14 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.161 -1.495 . . . . 2.14 111.196 158.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 m -119.77 163.1 29.47 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.136 -0.532 . . . . 1.75 109.577 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.92 -47.81 3.39 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 121.382 1.388 . . . . 1.09 110.706 169.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.01 -36.27 74.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.322 -0.854 . . . . 2.7 111.201 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.52 -56.88 15.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.3 111.576 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -59.65 -39.09 83.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.78 111.381 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.8 -35.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 1.03 110.955 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -61.41 -48.55 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 3.35 110.797 177.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 66' ' ' ILE . 43.0 tp -66.92 -33.17 75.01 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.937 -0.394 . . . . 1.22 109.937 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.04 90.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.49 110.412 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.29 -42.41 99.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.725 -0.67 . . . . 2.12 110.478 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.702 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.2 mt-10 -60.55 -48.22 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 2.21 111.105 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 26' ' ' LEU . 67.5 mt -60.62 -35.65 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.928 -0.309 . . . . 0.66 110.827 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -74.39 -39.95 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 0.63 111.164 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.84 -35.25 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 2.46 110.666 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 77.1 mttt -90.5 0.67 57.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 2.41 111.064 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.76 120.57 67.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.78 110.82 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.6 108.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.232 1.955 . . . . 1.34 112.086 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.55 15.9 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.738 -0.744 . . . . 0.77 112.668 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' MET . 21.7 Cg_exo -65.78 119.94 7.05 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.079 2.519 . . . . 0.9 112.86 -178.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 67' ' ' ALA . 7.1 p -140.66 139.82 34.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 1.5 110.256 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -146.34 109.51 4.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 2.58 109.811 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 3.5 p -117.77 131.83 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.323 0.583 . . . . 1.16 111.266 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 tp -109.57 130.33 55.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.784 . . . . 1.35 110.008 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 43.4 t -107.16 129.17 61.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.675 -0.491 . . . . 1.01 109.675 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.03 128.29 54.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.409 -0.36 . . . . 1.37 111.069 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.8 mt -105.96 110.35 31.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.85 -0.796 . . . . 1.4 108.85 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 44.7 p -84.36 129.4 34.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.237 0.541 . . . . 2.07 111.578 -175.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.25 -148.65 18.79 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.585 -0.734 . . . . 1.09 111.766 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.879 -0.415 . . . . 2.22 109.879 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.37 111.92 17.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.75 0.309 . . . . 1.13 111.002 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 26.8 t70 -58.06 145.51 72.64 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.869 -0.605 . . . . 2.07 109.763 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 85' ' ' ASP . 20.9 Cg_exo -32.44 -47.72 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 124.428 3.419 . . . . 1.3 115.209 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.18 -48.63 72.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 2.43 111.32 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -36.13 80.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 2.37 110.379 175.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.8 -35.39 79.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 2.81 110.452 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.9 m -59.16 -48.94 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.33 110.567 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -24.03 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 2.41 111.31 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.33 79.87 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.482 -0.562 . . . . 0.78 109.482 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -79.8 -53.34 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.43 -0.805 . . . . 2.44 110.917 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.5 -52.46 63.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 2.85 111.47 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.31 71.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.508 -0.314 . . . . 0.63 111.331 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.04 -50.52 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.619 0.247 . . . . 0.64 111.282 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 37.5 mt-10 -68.47 -19.7 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 2.62 111.247 -177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.78 -50.61 8.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.198 0.523 . . . . 2.66 110.31 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.2 -13.69 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.016 -0.538 . . . . 0.58 112.216 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 12.7 ptm180 -59.35 -20.53 55.44 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.703 0.287 . . . . 3.77 111.502 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.98 -24.4 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.492 . . . . 3.24 110.51 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -101.48 18.98 18.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.779 -0.646 . . . . 2.65 109.796 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.67 29.38 8.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.933 -1.031 . . . . 2.0 110.685 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.472 HG22 ' CG1' ' A' ' 76' ' ' VAL . 61.8 t -86.28 134.61 26.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.583 -0.735 . . . . 0.99 109.249 174.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -135.24 136.7 41.92 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.802 0.334 . . . . 4.06 110.782 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 78' ' ' VAL . 34.2 t -118.81 126.04 74.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.135 -0.484 . . . . 1.58 110.483 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -127.22 137.39 52.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.268 -0.424 . . . . 3.0 110.568 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.7 m -94.07 116.93 29.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.86 110.306 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' THR . 7.0 m -111.45 109.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.506 0.67 . . . . 1.51 110.599 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -78.45 -14.81 59.2 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.543 -0.753 . . . . 1.55 111.032 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.9 p -136.95 156.54 75.78 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.249 -0.432 . . . . 1.52 110.689 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.67 -34.65 83.51 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.673 2.248 . . . . 1.05 112.158 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.1 -41.92 99.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 2.48 111.002 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 117' ' ' ARG . 62.6 mm-40 -65.33 -38.36 89.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.44 -0.346 . . . . 2.7 110.765 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 119' ' ' ILE . . . -58.39 -51.9 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.7 110.432 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 2.33 110.538 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 114' ' ' GLU . 40.7 ttt180 -57.84 -56.82 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.442 -0.799 . . . . 3.61 110.87 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.456 ' O ' ' HD2' ' A' ' 122' ' ' PHE . 28.3 m95 -66.45 -36.35 82.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 3.39 111.073 -175.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 115' ' ' ALA . 77.4 mt -56.17 -38.68 55.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.81 110.44 176.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.62 -44.55 42.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 2.76 110.632 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.65 -41.57 97.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.57 111.596 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.456 ' HD2' ' O ' ' A' ' 118' ' ' TRP . 70.0 m-85 -82.46 -16.26 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 3.02 112.397 -176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 p -90.14 -34.88 15.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.863 0.363 . . . . 1.4 110.518 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.11 -37.72 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.14 110.056 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.269 -0.872 . . . . 6.29 111.157 174.421 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.813 0.339 . . . . 3.09 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -94.97 126.53 40.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.536 -0.302 . . . . 3.31 110.658 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 47' ' ' LEU . 84.6 mt -110.46 105.7 14.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.897 -0.592 . . . . 1.76 109.681 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 24.1 t -115.18 144.29 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.761 -0.654 . . . . 0.46 109.968 -176.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.97 118.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.603 0.24 . . . . 0.52 110.412 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 5.1 mp -106.33 121.05 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.405 -0.591 . . . . 1.33 109.405 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 79' ' ' LEU . 2.4 tp -106.29 121.04 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.143 0.497 . . . . 1.36 111.077 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -99.86 95.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.788 -0.642 . . . . 1.37 109.501 175.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -173.9 151.57 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 3.23 109.485 175.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -113.06 83.13 1.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.23 -0.656 . . . . 4.58 109.23 170.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.49 159.22 32.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.023 -0.99 . . . . 2.29 108.911 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -91.16 -64.73 1.09 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.327 -0.549 . . . . 3.77 110.224 174.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -63.31 -36.0 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.947 -0.57 . . . . 3.23 111.839 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.95 -50.13 57.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.76 -40.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.97 111.286 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 55.2 mt-10 -56.21 -54.56 43.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 2.42 110.993 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 41' ' ' MET . 24.1 tt0 -67.37 -42.0 84.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 2.53 111.228 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.35 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.068 0.461 . . . . 0.61 110.584 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 65.8 ttt180 -67.28 -42.17 84.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.788 -0.642 . . . . 2.73 110.589 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.0 mtpp -64.56 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.061 -0.518 . . . . 2.52 110.782 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.565 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 84.8 mtp -58.76 -49.96 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 2.61 110.387 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . . . -61.42 -37.89 85.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.75 110.655 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.37 -43.71 93.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.167 -0.47 . . . . 2.57 110.941 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.95 -46.01 72.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.113 -0.494 . . . . 2.98 111.25 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.85 -0.83 52.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.176 -0.465 . . . . 0.76 111.675 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.27 35.99 12.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.803 -0.635 . . . . 2.22 111.37 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.5 mt -93.33 164.6 13.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.183 -0.673 . . . . 1.11 109.183 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.55 99.99 11.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 2.13 110.538 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 42' ' ' ALA . 1.4 tm? -90.74 121.66 32.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.715 -0.675 . . . . 1.49 109.302 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 ' HB ' ' HG ' ' A' ' 26' ' ' LEU . 44.1 mm -120.72 117.77 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.13 -0.486 . . . . 1.31 110.323 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -95.46 98.98 10.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.224 -0.443 . . . . 1.2 111.39 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.52 81.47 35.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 1.95 110.404 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -90.43 102.27 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.226 1.951 . . . . 2.29 113.307 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.19 -51.27 0.15 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.295 -1.431 . . . . 2.14 111.156 161.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 10.7 m -119.82 160.27 43.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 108.964 -0.754 . . . . 1.75 108.964 166.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -63.28 -43.96 16.61 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 121.415 1.41 . . . . 1.09 111.109 170.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.04 -18.42 60.84 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.706 -0.679 . . . . 2.7 111.272 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 39.3 tt0 -61.7 -52.56 63.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.781 0.324 . . . . 2.3 110.284 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.31 72.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 0.78 110.793 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HB1' ' A' ' 95' ' ' ALA . 29.4 mm -61.95 -46.15 97.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.078 0.466 . . . . 1.03 110.257 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -66.94 -39.68 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 3.35 111.059 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.51 -32.29 71.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.789 0.328 . . . . 1.22 110.311 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.49 110.065 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 60' ' ' ILE . 78.3 mt-30 -59.49 -41.67 90.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.624 -0.716 . . . . 2.12 110.124 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 49.9 mm-40 -58.76 -55.77 30.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.627 -0.715 . . . . 2.21 110.838 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.02 -40.4 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.66 110.925 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.67 94.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.219 0.452 . . . . 0.63 112.219 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 64' ' ' GLN . 8.1 pt-20 -81.98 -27.5 33.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.759 -0.376 . . . . 2.46 111.473 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 34.0 mmtp -86.08 -24.95 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.136 -0.226 . . . . 2.41 111.6 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 74' ' ' VAL . . . -74.83 122.63 87.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.766 -0.197 . . . . 0.78 110.983 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -66.71 108.27 1.42 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.523 2.149 . . . . 1.34 112.022 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.71 -179.0 16.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.854 -0.612 . . . . 0.77 112.044 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.44 124.71 13.74 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.914 2.409 . . . . 0.9 111.79 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 70' ' ' ALA . 19.8 t -118.19 132.88 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 1.5 110.608 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -125.83 103.09 7.6 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.057 -0.72 . . . . 2.58 109.057 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG1' HG22 ' A' ' 104' ' ' VAL . 2.9 p -108.84 129.4 63.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.559 0.695 . . . . 1.16 111.174 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -102.63 125.53 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.171 -0.922 . . . . 1.35 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG21 HD13 ' A' ' 60' ' ' ILE . 62.4 t -100.9 115.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.493 0.663 . . . . 1.01 109.698 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 27' ' ' ILE . 12.0 tp -101.93 117.52 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.985 -1.007 . . . . 1.37 109.595 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.1 mt -116.2 110.61 32.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 1.4 110.265 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.3 m -107.43 131.14 54.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.432 -0.349 . . . . 2.07 111.235 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.09 -177.92 16.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.831 -0.7 . . . . 1.09 113.053 175.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -81.44 99.87 8.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.037 0.446 . . . . 2.22 109.912 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 130.6 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.986 -0.552 . . . . 1.13 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -75.59 160.03 80.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 2.07 109.964 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -45.68 -49.92 10.14 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.012 2.475 . . . . 1.3 113.237 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.09 -35.87 76.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 2.43 110.804 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -61.74 -40.67 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 2.37 110.43 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 2.81 110.481 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -62.85 -45.01 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.873 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -60.92 -46.04 92.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 2.41 110.933 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.07 73.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.78 110.476 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -59.79 -47.9 83.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.032 -0.531 . . . . 2.44 110.682 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 24.8 ttpp -65.31 -55.45 18.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 2.85 110.639 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.656 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.694 -0.685 . . . . 0.63 111.946 -174.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 100' ' ' ARG . . . -57.32 -51.35 69.73 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.64 111.049 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.16 -41.37 94.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.994 0.426 . . . . 2.62 110.61 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 41.1 mt-10 -62.83 -41.02 99.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.678 -0.692 . . . . 2.66 110.978 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.98 34.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.512 . . . . 0.58 111.871 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 68.2 ttt180 -63.5 -11.68 25.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.404 . . . . 3.77 111.15 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -66.55 -21.4 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.203 0.525 . . . . 3.24 110.017 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -106.31 22.34 15.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.544 -0.753 . . . . 2.65 110.11 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 62.4 29.2 17.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.738 -0.664 . . . . 2.0 111.762 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.496 HG22 ' CG1' ' A' ' 76' ' ' VAL . 62.8 t -78.91 108.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.432 -0.581 . . . . 0.99 109.432 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -111.95 134.2 53.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.009 -0.541 . . . . 4.06 110.246 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.49 138.43 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.978 0.418 . . . . 1.58 111.134 -177.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.55 ' HA ' ' HE ' ' A' ' 107' ' ' ARG . 3.5 mmp_? -138.33 122.74 18.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.096 -0.502 . . . . 3.0 110.406 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.1 m -86.54 138.81 31.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 0.86 110.234 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.2 t -118.4 126.09 74.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.882 -0.599 . . . . 1.51 110.569 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.8 p -114.29 -27.24 7.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 1.55 110.587 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.3 t -128.26 140.2 37.65 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.191 -0.67 . . . . 1.52 109.191 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -54.97 -25.09 42.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.701 2.934 . . . . 1.05 114.244 -172.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.08 -26.24 62.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.614 0.245 . . . . 2.48 110.868 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.62 -44.68 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.459 -0.337 . . . . 2.7 110.562 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.439 ' HB1' HD21 ' A' ' 79' ' ' LEU . . . -57.14 -49.69 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.7 110.652 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 31.3 ttpt -63.91 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.239 -0.891 . . . . 2.33 110.649 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.0 ttm105 -74.03 -48.43 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.752 -0.658 . . . . 3.61 110.996 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.424 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 7.6 m95 -56.96 -51.16 70.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.47 -0.332 . . . . 3.39 111.077 -177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 78.8 mt -55.21 -47.41 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.81 111.065 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.19 -43.02 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.447 -0.342 . . . . 2.76 111.281 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.11 -38.62 85.95 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.539 -0.3 . . . . 2.57 111.312 -175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 47.9 m-85 -77.65 -28.23 51.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.237 -0.185 . . . . 3.02 111.374 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m -69.82 -48.05 60.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.479 -0.563 . . . . 1.4 109.479 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.06 79.17 0.26 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.388 0.613 . . . . 4.14 111.245 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.458 -0.792 . . . . 6.29 109.761 178.442 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 ttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.075 -0.343 . . . . 3.09 110.075 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 27.8 mmt180 -116.72 88.82 2.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.377 0.608 . . . . 3.31 110.634 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -113.24 113.89 25.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.954 -0.758 . . . . 1.76 108.954 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 66' ' ' ILE . 46.4 t -118.36 145.87 23.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.798 -0.637 . . . . 0.46 111.456 -168.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.37 122.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.271 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.04 110.96 23.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.889 -0.596 . . . . 1.33 109.705 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 tp -114.95 136.44 51.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.142 0.496 . . . . 1.36 110.403 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' HB ' ' HA2' ' A' ' 54' ' ' GLY . 32.7 m -88.57 152.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 1.37 109.972 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 m -69.64 146.49 51.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.956 0.725 . . . . 3.23 112.956 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.549 ' HB3' HG21 ' A' ' 81' ' ' THR . 5.2 p-10 -175.27 -170.94 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.383 -1.28 . . . . 4.58 107.617 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 33' ' ' LYS . 25.4 t70 -35.02 118.08 0.42 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.564 0.54 . . . . 2.29 111.016 174.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.27 -24.16 66.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.506 -0.77 . . . . 3.77 112.475 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 8.0 ttpm? -56.94 -48.14 78.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 3.23 110.326 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 30' ' ' ASN . 8.8 tt -63.24 -43.13 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 1.39 110.424 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.4 mt -55.42 -46.39 78.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.154 -0.476 . . . . 0.97 110.122 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.9 mt-10 -65.62 -50.58 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 2.42 111.603 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 21.5 mm-40 -63.17 -39.79 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.773 0.321 . . . . 2.53 111.145 -175.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.02 96.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.079 0.466 . . . . 0.61 110.263 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 78.7 ttt180 -64.79 -37.18 86.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.756 -0.656 . . . . 2.73 111.077 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.6 mttp -57.7 -48.04 80.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 2.52 111.091 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -72.72 -29.78 63.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.478 -0.328 . . . . 2.61 111.15 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.2 58.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.338 -0.392 . . . . 0.75 110.306 176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.7 -27.98 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.107 -0.497 . . . . 2.57 110.25 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.97 -26.38 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.625 -0.716 . . . . 2.98 111.043 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.7 16.49 18.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.123 0.487 . . . . 0.76 110.818 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.2 t30 56.83 49.93 13.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.086 -0.961 . . . . 2.22 111.131 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -98.71 149.47 22.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.453 -0.573 . . . . 1.11 109.453 175.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -81.3 98.82 8.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 2.13 109.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 1.6 tm? -89.16 120.56 30.65 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.752 -0.462 . . . . 1.49 109.752 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.52 122.81 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.137 -0.483 . . . . 1.31 110.223 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 m -98.42 128.66 44.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 1.2 110.322 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' PRO . 14.1 m -116.79 173.08 3.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.302 -0.408 . . . . 1.95 109.975 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.689 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.2 Cg_endo -47.21 159.69 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.747 2.298 . . . . 2.29 111.891 165.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -71.96 6.85 8.6 Favored Glycine 0 C--N 1.315 -0.587 0 CA-C-N 115.896 -0.593 . . . . 2.14 114.37 -171.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -96.36 138.49 21.52 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 117.372 0.586 . . . . 1.75 111.153 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -70.5 -22.84 28.14 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.166 2.577 . . . . 1.09 112.91 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.5 -50.78 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 2.7 110.65 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.53 -34.61 77.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.906 -0.588 . . . . 2.3 111.291 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.67 -54.67 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 0.78 111.178 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.74 -36.81 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.432 -0.349 . . . . 1.03 111.201 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -63.74 -31.33 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.956 -0.297 . . . . 3.35 110.847 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 66' ' ' ILE . 30.0 tp -76.85 -33.45 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.738 -0.467 . . . . 1.22 109.738 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CG1' ' A' ' 66' ' ' ILE . . . -65.48 -29.43 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.49 110.892 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -42.78 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 2.12 109.801 172.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.38 -38.21 87.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.629 -0.714 . . . . 2.21 109.739 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 62' ' ' LEU . 50.2 mm -53.98 -58.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.66 110.7 176.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.49 70.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.63 111.174 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.34 -32.39 70.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 2.46 110.552 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -110.04 21.19 17.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.709 -0.678 . . . . 2.41 110.614 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -100.26 112.89 65.01 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.216 -0.447 . . . . 0.78 111.795 -176.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 8.8 Cg_exo -76.16 109.0 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.885 2.39 . . . . 1.34 111.782 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 -154.84 21.42 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.572 -0.74 . . . . 0.77 112.83 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.32 119.78 6.82 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.093 2.529 . . . . 0.9 111.886 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 7.7 p -131.49 138.04 53.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 1.5 111.347 -177.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -133.03 137.79 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.655 -0.869 . . . . 2.58 108.655 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 18.9 t -121.92 125.39 73.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.041 0.448 . . . . 1.16 111.059 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 ' HD2' ' A' ' 107' ' ' ARG . 66.9 tp -101.14 121.64 42.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.071 -0.513 . . . . 1.35 109.902 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.405 ' HB ' HG12 ' A' ' 106' ' ' VAL . 58.6 t -103.43 118.0 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.876 0.37 . . . . 1.01 110.619 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -98.8 114.24 26.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.041 -0.527 . . . . 1.37 110.208 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' THR . 11.3 pt -112.89 127.0 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.756 -0.461 . . . . 1.4 109.756 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 30' ' ' ASN . 15.1 t -101.79 143.28 31.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 2.07 111.577 -172.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.58 -166.82 54.33 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.821 -0.627 . . . . 1.09 112.063 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -102.68 110.33 22.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.848 0.356 . . . . 2.22 110.195 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.71 136.68 54.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.695 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.59 144.53 88.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.823 -0.626 . . . . 2.07 110.132 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -37.47 -48.93 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.595 3.53 . . . . 1.3 114.841 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.66 -50.73 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.835 0.35 . . . . 2.43 111.175 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.48 -31.13 69.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 2.37 110.497 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -59.32 -45.45 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.737 -0.665 . . . . 2.81 109.83 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.0 m -71.37 -40.88 70.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.76 -0.655 . . . . 1.33 110.949 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.9 -47.78 79.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.804 -0.635 . . . . 2.41 110.67 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.7 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.78 110.677 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -59.44 -51.1 71.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.44 110.718 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -61.99 -42.16 98.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 2.85 110.61 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.57 68.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.802 -0.635 . . . . 0.63 110.976 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.92 78.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.64 112.102 -176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.56 -38.76 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.762 -0.375 . . . . 2.62 110.818 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.38 -40.56 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.087 0.47 . . . . 2.66 110.317 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -70.49 -15.83 62.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.876 -0.602 . . . . 0.58 111.661 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -62.67 -17.29 60.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 3.77 111.08 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.36 -36.31 75.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 3.24 110.418 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -100.44 18.16 19.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.574 . . . . 2.65 109.724 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER 65.4 28.81 11.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.949 -1.023 . . . . 2.0 111.727 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.516 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 41.0 t -79.59 99.57 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 173.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -116.02 139.54 50.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 4.06 111.133 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' HB ' ' A' ' 78' ' ' VAL . 27.0 m -96.53 144.58 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.001 -0.545 . . . . 1.58 111.029 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HD3' ' CD2' ' A' ' 118' ' ' TRP . 98.8 mtt180 -139.14 134.83 33.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.911 -0.586 . . . . 3.0 109.716 175.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 28.0 m -89.33 125.17 35.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.973 0.416 . . . . 0.86 110.893 -177.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 81' ' ' THR . 27.5 m -118.69 131.32 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.012 -0.54 . . . . 1.51 110.721 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.1 p -113.97 -18.21 11.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.419 . . . . 1.55 111.026 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 p -135.6 152.82 76.94 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 116.096 -0.502 . . . . 1.52 110.513 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.12 -41.92 55.41 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.732 2.288 . . . . 1.05 112.912 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.51 -44.63 69.26 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.066 -0.515 . . . . 2.48 111.805 -177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 2.7 110.794 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.63 84.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.7 110.654 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.8 -44.69 93.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 2.33 110.462 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 -61.48 -49.77 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.601 -0.727 . . . . 3.61 111.081 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.499 ' CD2' ' HD3' ' A' ' 107' ' ' ARG . 9.9 m95 -65.09 -42.09 94.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 3.39 111.624 -177.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.1 mt -65.83 -42.68 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.667 0.27 . . . . 0.81 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.59 -29.41 67.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.793 0.33 . . . . 2.76 110.236 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -67.78 -43.51 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.22 -0.659 . . . . 2.57 109.22 174.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.85 -23.38 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.029 -0.987 . . . . 3.02 110.406 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.1 m -76.97 -8.08 56.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.445 -0.798 . . . . 1.4 110.999 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -109.27 129.16 55.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.842 0.353 . . . . 4.14 110.755 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.667 -0.682 . . . . 6.29 110.188 -179.424 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 42.0 ttp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.839 0.352 . . . . 3.09 110.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 HH21 ' CD ' ' A' ' 48' ' ' GLU . 39.0 ttt85 -91.41 114.71 27.31 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.927 -0.397 . . . . 3.31 109.927 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.9 mm? -94.46 118.13 31.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.487 -0.561 . . . . 1.76 109.487 176.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 76' ' ' VAL . 41.6 t -115.02 135.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.46 109.719 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.51 124.61 71.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.904 0.383 . . . . 0.52 110.941 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.6 mm? -111.53 121.44 45.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.973 -0.558 . . . . 1.33 110.001 176.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.0 mm -113.14 121.04 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.301 -0.259 . . . . 1.36 110.301 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 80' ' ' ILE . 6.3 m -102.08 94.61 3.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.688 0.756 . . . . 1.37 110.655 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -174.76 145.5 0.88 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.224 -0.898 . . . . 3.23 109.416 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -111.06 81.62 1.46 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.712 -0.848 . . . . 4.58 108.712 166.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 30.9 t70 -125.8 131.78 52.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.364 -0.835 . . . . 2.29 109.532 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -64.92 -33.93 77.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.438 -0.347 . . . . 3.77 111.608 -176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -80.54 -56.74 3.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.829 -0.348 . . . . 3.23 110.898 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 112' ' ' PRO . 38.0 tp -53.68 -50.32 66.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 1.39 111.341 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.661 HG23 HG21 ' A' ' 51' ' ' THR . 57.0 mt -60.49 -51.59 71.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.407 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 26.4 mm-40 -67.35 -42.21 83.87 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.657 -0.417 . . . . 2.42 111.801 -176.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' MET . 27.6 tt0 -66.93 -43.98 81.87 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.848 -0.341 . . . . 2.53 110.581 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.18 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.143 0.496 . . . . 0.61 109.867 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -58.81 -47.3 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.384 -0.826 . . . . 2.73 110.631 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.5 mmtp -60.42 -39.83 88.84 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.229 -0.441 . . . . 2.52 111.051 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 33.6 mmt -66.95 -51.4 55.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 2.61 110.609 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.8 98.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.75 111.202 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.93 -43.18 96.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 2.57 110.715 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.47 -32.4 74.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 2.98 111.071 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.31 0.41 56.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.398 -0.365 . . . . 0.76 111.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 59.12 40.86 21.37 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.449 -0.796 . . . . 2.22 111.29 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 23' ' ' LEU . 51.7 mt -99.12 175.18 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.748 -0.66 . . . . 1.11 110.251 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 22' ' ' ARG . 34.4 tt0 -110.06 111.59 23.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 2.13 110.292 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 tt -126.54 129.49 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 1.49 110.405 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.451 HD12 HD11 ' A' ' 66' ' ' ILE . 51.4 mt -121.93 130.32 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.934 -0.576 . . . . 1.31 110.268 177.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.661 HG21 HG23 ' A' ' 35' ' ' ILE . 14.3 p -93.15 137.11 32.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.219 0.533 . . . . 1.2 110.952 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 53' ' ' PRO . 40.6 t -129.98 149.75 74.02 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.282 -0.872 . . . . 1.95 109.918 -175.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.589 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.9 Cg_endo -49.14 160.43 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.822 2.348 . . . . 2.29 111.493 167.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.77 -1.78 6.88 Favored Glycine 0 C--N 1.317 -0.494 0 N-CA-C 115.503 0.961 . . . . 2.14 115.503 -166.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 5.6 p -70.15 116.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 117.731 0.766 . . . . 1.75 110.507 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 55' ' ' SER . 45.3 Cg_exo -59.93 -47.49 15.32 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.609 2.873 . . . . 1.09 114.306 -174.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' OE2' ' HE3' ' A' ' 91' ' ' LYS . 25.8 tt0 -65.55 -32.66 74.37 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.713 -0.395 . . . . 2.7 110.809 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -56.57 -46.65 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.545 . . . . 2.3 110.949 -176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.78 111.661 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.31 -35.63 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.082 0.468 . . . . 1.03 110.073 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -69.28 -34.55 74.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 3.35 110.151 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -43.86 86.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.779 -0.823 . . . . 1.22 108.779 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -59.6 -45.87 90.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.183 -0.917 . . . . 0.49 110.878 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -41.2 88.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 2.12 109.686 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -57.55 -48.09 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.701 -0.682 . . . . 2.21 110.64 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD11 HD12 ' A' ' 50' ' ' ILE . 69.1 mt -73.09 -43.79 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.584 -0.28 . . . . 0.66 111.751 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -67.45 -42.08 83.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.992 0.367 . . . . 0.63 111.992 -174.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.15 -29.19 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 2.46 110.424 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 3.8 mmmp? -101.11 20.17 16.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.747 -0.66 . . . . 2.41 111.11 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 130.68 42.4 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.513 -0.312 . . . . 0.78 111.247 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -86.24 108.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.613 2.208 . . . . 1.34 112.202 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.75 -166.03 22.46 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.887 -0.673 . . . . 0.77 112.366 176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.59 127.18 17.48 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.845 2.363 . . . . 0.9 111.799 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.64 143.79 28.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.336 -0.393 . . . . 1.5 110.62 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 103' ' ' ASN . 45.6 mmtm -134.81 117.9 16.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.114 -0.699 . . . . 2.58 109.114 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 67' ' ' ALA . 21.6 t -107.04 125.38 63.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.173 0.511 . . . . 1.16 110.686 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.0 tp -106.93 119.36 39.13 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.614 -0.721 . . . . 1.35 110.041 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.56 122.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.028 0.442 . . . . 1.01 110.127 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.03 105.89 16.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.703 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.58 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 20.2 pt -89.13 119.54 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.444 -0.576 . . . . 1.4 109.444 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 17.1 m -95.27 123.67 38.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 2.07 111.658 -172.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.7 -149.09 16.82 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.003 -0.617 . . . . 1.09 112.118 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 m -109.94 105.94 15.3 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.185 -0.302 . . . . 2.22 110.185 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.23 125.97 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 1.13 110.492 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.04 146.22 99.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.34 -0.615 . . . . 2.07 109.34 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -42.55 -50.94 5.45 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.259 2.639 . . . . 1.3 113.908 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -73.69 -39.66 64.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 2.43 110.884 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.6 -33.15 75.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 2.37 111.262 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -65.69 -42.09 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.178 -0.464 . . . . 2.81 110.176 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -72.55 -32.9 66.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.153 0.501 . . . . 1.33 110.283 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 44.6 tptt -61.78 -42.93 99.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.733 -0.667 . . . . 2.41 109.492 176.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.06 70.53 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.78 110.19 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 -49.83 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 2.44 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mmmm -55.84 -52.82 62.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 2.85 111.18 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.23 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.63 111.359 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.59 77.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.64 111.076 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.02 -37.83 81.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 2.62 110.574 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 46.8 mt-10 -72.75 -51.65 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 2.66 110.068 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.84 62.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.316 -0.856 . . . . 0.58 111.79 -177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -53.04 -34.44 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 3.77 110.898 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -71.7 -11.12 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 3.24 111.189 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -113.82 19.09 16.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.445 . . . . 2.65 110.594 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 11.6 m120 66.24 46.86 1.94 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.38 -0.827 . . . . 2.0 112.203 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.6 t -103.16 106.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.182 0.515 . . . . 0.99 109.774 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -106.26 108.55 20.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.769 -0.65 . . . . 4.06 110.665 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.26 134.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.493 . . . . 1.58 110.605 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -144.45 153.24 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 3.0 110.095 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.439 ' HA ' HG13 ' A' ' 80' ' ' ILE . 27.6 m -87.22 128.18 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.128 -0.487 . . . . 0.86 111.954 -175.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 81' ' ' THR . 12.9 p -122.38 141.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.095 -0.502 . . . . 1.51 110.299 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 p -120.32 -29.57 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.879 0.371 . . . . 1.55 111.643 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -122.13 141.44 34.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.357 -0.383 . . . . 1.52 110.318 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.479 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 51.2 Cg_exo -54.26 -36.37 86.22 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.187 2.591 . . . . 1.05 113.156 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -62.57 -29.24 70.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.583 -0.28 . . . . 2.48 111.253 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.527 ' HB2' HG23 ' A' ' 109' ' ' VAL . 48.0 mt-10 -65.57 -55.89 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.007 -0.368 . . . . 2.7 110.007 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.53 79.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.907 -0.588 . . . . 0.7 110.317 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.555 ' HG3' ' SD ' ' A' ' 41' ' ' MET . 58.9 tttm -56.66 -34.65 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.339 -0.846 . . . . 2.33 111.206 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -76.86 -45.07 29.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.164 -0.471 . . . . 3.61 110.629 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.467 ' O ' ' HD1' ' A' ' 122' ' ' PHE . 6.7 m95 -62.59 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 3.39 110.971 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.34 -44.42 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.81 110.278 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.01 -38.73 89.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 2.76 110.732 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.33 -42.64 91.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.82 -0.627 . . . . 2.57 110.247 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 118' ' ' TRP . 50.0 m-85 -77.23 -26.37 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 3.02 111.498 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.8 m -71.96 -54.19 10.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.945 0.403 . . . . 1.4 111.498 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -90.17 -177.11 5.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.525 . . . . 4.14 110.925 -174.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.484 -0.769 . . . . 6.29 110.588 -179.231 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.667 0.27 . . . . 3.09 110.406 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -107.28 89.85 3.12 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.353 0.597 . . . . 3.31 109.618 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB3' HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -108.55 113.98 27.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.242 -0.89 . . . . 1.76 108.911 -177.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 14.0 t -110.56 131.58 61.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.537 -0.302 . . . . 0.46 110.751 -176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.03 106.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.509 . . . . 0.52 110.415 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.611 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.8 mp -106.45 109.78 21.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.159 -0.682 . . . . 1.33 109.159 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tt -110.61 145.25 17.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 1.36 110.613 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t -88.33 152.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.072 -0.714 . . . . 1.37 109.072 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.576 ' H ' ' HB3' ' A' ' 53' ' ' PRO . 12.8 t -59.38 139.19 57.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.289 0.566 . . . . 3.23 111.999 -170.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -152.92 -170.18 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.486 -1.302 . . . . 4.58 107.486 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.0 156.17 7.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.553 0.615 . . . . 2.29 111.905 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.647 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 3.4 mppt? -55.0 -42.53 72.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 3.77 110.823 -175.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -60.08 -40.7 90.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 3.23 111.39 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.66 -49.48 46.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.525 -0.307 . . . . 1.39 110.959 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.69 -46.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.403 . . . . 0.97 110.167 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.1 mm-40 -67.79 -44.25 77.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 2.42 111.66 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.55 -46.69 78.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.517 -0.473 . . . . 2.53 110.848 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.56 73.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.396 0.617 . . . . 0.61 110.338 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 60.4 ttt180 -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.363 -0.835 . . . . 2.73 111.012 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.5 mttm -59.8 -42.79 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 2.52 110.695 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.502 ' SD ' ' HG3' ' A' ' 116' ' ' LYS . 83.9 mtp -61.33 -43.7 98.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.61 110.297 176.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.35 95.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 0.75 110.837 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.46 -37.77 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 2.57 110.904 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.45 -42.01 59.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 2.98 111.325 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.86 6.14 49.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.816 0.302 . . . . 0.76 111.816 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 64.3 41.02 6.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.97 -0.559 . . . . 2.22 111.25 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 23' ' ' LEU . 19.0 mt -95.83 150.77 20.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 1.11 110.099 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 tp10 -81.58 98.79 8.49 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.625 -0.509 . . . . 2.13 109.625 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.4 113.29 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.542 -0.54 . . . . 1.49 109.542 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 42.5 mm -121.74 127.21 75.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 1.31 110.217 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -111.04 99.7 8.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.339 -0.391 . . . . 1.2 110.823 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 50' ' ' ILE . 50.7 t -127.62 80.52 71.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.307 0.575 . . . . 1.95 110.361 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HB3' ' H ' ' A' ' 29' ' ' SER . 90.8 Cg_endo -91.7 106.27 0.25 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.317 2.678 . . . . 2.29 114.621 174.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.87 -53.19 0.16 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 118.738 -1.696 . . . . 2.14 110.527 158.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.616 ' HB2' ' OE2' ' A' ' 57' ' ' GLU . 58.2 m -119.94 174.32 2.97 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 107.844 -1.169 . . . . 1.75 107.844 158.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.97 -32.7 98.01 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 121.402 1.401 . . . . 1.09 111.629 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.616 ' OE2' ' HB2' ' A' ' 55' ' ' SER . 0.1 OUTLIER -73.92 -18.91 60.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.84 -0.618 . . . . 2.7 112.434 -176.259 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.66 -40.07 88.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.204 0.526 . . . . 2.3 110.014 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 26' ' ' LEU . . . -70.67 -38.26 73.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.581 -0.736 . . . . 0.78 110.304 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 44.3 mt -68.52 -35.35 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 1.03 111.288 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.568 HH22 ' HB2' ' A' ' 98' ' ' GLU . 5.1 tpm_? -68.28 -38.76 82.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.006 -0.543 . . . . 3.35 110.261 -178.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -77.93 -26.4 48.94 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.396 -0.594 . . . . 1.22 109.396 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' ILE . . . -55.54 -43.35 75.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.408 -0.814 . . . . 0.49 110.547 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.63 -41.83 95.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.211 -0.45 . . . . 2.12 110.81 177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.58 -51.79 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 2.21 110.857 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.98 -37.27 79.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 0.66 110.995 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 76' ' ' VAL . . . -68.99 -39.92 79.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.125 0.488 . . . . 0.63 111.029 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.63 -37.91 89.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.565 -0.743 . . . . 2.46 110.6 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -94.95 21.19 7.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 2.41 110.961 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . . . -99.25 117.92 63.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 0.78 110.775 178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' ALA . 12.5 Cg_exo -72.98 108.01 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.325 2.016 . . . . 1.34 111.856 176.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.89 -147.08 18.51 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.562 -0.745 . . . . 0.77 112.458 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.79 134.41 34.79 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.999 2.466 . . . . 0.9 112.031 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.28 138.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 1.5 111.134 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HB2' HD22 ' A' ' 23' ' ' LEU . 98.8 mttt -126.74 111.73 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.58 109.332 175.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 67' ' ' ALA . 59.7 t -109.45 126.79 66.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.004 0.431 . . . . 1.16 111.177 -177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 122' ' ' PHE . 67.2 tp -118.66 131.01 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.768 -0.651 . . . . 1.35 110.497 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.04 125.35 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.441 . . . . 1.01 109.984 175.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 109' ' ' VAL . 3.5 mm? -104.01 100.27 10.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.014 -0.539 . . . . 1.37 110.727 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.2 mt -84.34 99.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 1.4 109.334 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -76.44 133.12 39.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.161 -0.472 . . . . 2.07 111.806 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.05 -164.61 48.26 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 121.018 -0.611 . . . . 1.09 112.575 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 p -83.79 126.9 33.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.727 0.299 . . . . 2.22 110.714 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.27 123.87 28.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.898 -0.408 . . . . 1.13 109.898 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.19 150.51 84.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 2.07 110.402 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.42 -51.27 8.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.388 2.726 . . . . 1.3 113.713 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -75.83 -32.14 59.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.834 0.35 . . . . 2.43 110.913 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.83 -33.98 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.917 -0.583 . . . . 2.37 109.967 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -68.64 -33.58 74.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 2.81 110.115 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -69.82 -42.0 74.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.33 110.464 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . 74.2 mmtt -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 2.41 110.216 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.52 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.551 -0.75 . . . . 0.78 110.505 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.99 -50.9 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.026 -0.534 . . . . 2.44 110.248 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -65.23 -41.63 94.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.881 -0.599 . . . . 2.85 110.952 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' HA ' ' NH1' ' A' ' 61' ' ' ARG . . . -61.74 -49.27 77.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.62 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . . . -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.64 111.685 -177.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -43.01 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.348 0.594 . . . . 2.62 109.991 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' HH22 ' A' ' 61' ' ' ARG . 7.4 mm-40 -77.94 -32.08 51.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 2.66 111.166 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.47 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -74.85 -29.54 61.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.58 111.739 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' ALA . 44.7 mtm180 -64.23 -21.29 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 3.77 110.563 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -71.25 -13.77 62.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.84 -0.618 . . . . 3.24 110.381 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -119.72 22.91 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 2.65 111.016 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.438 HD22 ' N ' ' A' ' 103' ' ' ASN . 1.0 OUTLIER 69.44 31.39 3.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.764 -0.653 . . . . 2.0 112.244 177.086 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.47 ' HB ' ' HB1' ' A' ' 99' ' ' ALA . 58.8 t -96.31 133.08 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.399 . . . . 0.99 109.921 175.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -120.7 132.09 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.381 -0.372 . . . . 4.06 110.329 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.52 141.38 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.304 -0.407 . . . . 1.58 110.106 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.496 ' HD3' ' CD1' ' A' ' 118' ' ' TRP . 99.5 mtt180 -142.44 130.71 22.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.395 -0.366 . . . . 3.0 110.293 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.0 m -82.99 122.55 28.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 0.86 110.403 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.482 HG11 ' HB2' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -99.41 109.86 25.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.183 -0.462 . . . . 1.51 110.677 -174.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 p -84.61 -38.42 19.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.152 -0.476 . . . . 1.55 111.879 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.4 m -122.88 132.9 24.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.383 -0.371 . . . . 1.52 110.795 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.22 -35.99 82.44 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.452 2.768 . . . . 1.05 113.271 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 29.2 t70 -65.81 -38.46 89.01 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.421 0.629 . . . . 2.48 110.315 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 2.7 tp10 -73.9 -22.96 59.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.315 -0.857 . . . . 2.7 110.325 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.482 ' HB2' HG11 ' A' ' 109' ' ' VAL . . . -57.67 -39.62 77.5 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.151 0.501 . . . . 0.7 110.017 173.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 113' ' ' ASP . 21.8 ttpp -54.61 -46.65 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 2.33 110.492 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 117' ' ' ARG . 23.7 ttm-85 -65.08 -45.74 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 3.61 110.456 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.496 ' CD1' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -52.72 -45.71 67.06 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.865 -0.607 . . . . 3.39 111.681 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.91 -46.18 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.911 0.386 . . . . 0.81 110.492 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.49 -42.18 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 2.76 111.027 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.95 -42.38 90.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.406 . . . . 2.57 111.472 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 77' ' ' LEU . 36.0 t80 -75.78 -34.7 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.897 0.379 . . . . 3.02 111.334 -174.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.9 t -78.04 -29.38 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.463 -0.335 . . . . 1.4 111.083 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -84.23 -38.83 20.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 4.14 111.266 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 6.29 110.851 -178.202 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.323 0.582 . . . . 3.09 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -85.75 100.49 12.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.83 -0.623 . . . . 3.31 110.57 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.08 116.4 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.91 0.386 . . . . 1.76 110.018 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.502 HG11 HG21 ' A' ' 66' ' ' ILE . 48.3 t -120.22 138.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.034 -0.53 . . . . 0.46 110.833 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.47 124.22 54.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.269 -0.423 . . . . 0.52 110.619 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 66' ' ' ILE . 5.6 mp -113.09 138.43 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.051 -0.722 . . . . 1.33 109.051 171.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.27 128.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.928 -0.397 . . . . 1.36 109.928 -176.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.98 95.34 3.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.691 -0.232 . . . . 1.37 110.614 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.521 ' OG ' ' HB ' ' A' ' 81' ' ' THR . 49.1 m -171.21 158.8 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.482 ' HA ' HD11 ' A' ' 35' ' ' ILE . 23.8 t-20 -127.92 81.54 2.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.881 -0.728 . . . . 4.58 109.481 168.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 31.1 t70 -127.28 123.1 35.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.764 -1.107 . . . . 2.29 108.832 171.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.65 -27.41 69.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.721 0.296 . . . . 3.77 111.691 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HB3' ' OD2' ' A' ' 31' ' ' ASP . 6.1 ttpm? -77.33 -53.99 7.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 3.23 110.527 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 43.7 tp -59.17 -53.55 57.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.39 111.971 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 30' ' ' ASN . 65.3 mt -58.22 -44.81 88.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.618 -0.265 . . . . 0.97 111.351 -174.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.6 mm-40 -66.68 -48.17 70.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 2.42 111.064 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.64 -41.11 89.76 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.864 0.364 . . . . 2.53 110.549 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.3 97.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.61 110.743 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 2.73 110.474 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 34.6 mmtp -56.28 -45.9 79.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.643 -0.503 . . . . 2.52 109.643 173.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.5 mmm -63.94 -43.05 97.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 2.61 111.359 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -60.31 -39.53 87.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.721 -0.218 . . . . 0.75 111.026 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -67.85 -36.04 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.574 0.226 . . . . 2.57 110.889 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.6 mttm -66.48 -40.68 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 2.98 110.918 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.02 9.45 42.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.76 112.147 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 55.93 41.74 29.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.966 -0.561 . . . . 2.22 112.182 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD11 ' OG ' ' A' ' 123' ' ' SER . 57.8 mt -98.24 152.41 19.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.526 . . . . 1.11 110.223 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.19 99.41 12.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.995 -0.743 . . . . 2.13 108.995 172.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 42' ' ' ALA . 1.4 tt -95.99 119.1 33.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.537 -0.542 . . . . 1.49 109.537 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 HD13 ' A' ' 66' ' ' ILE . 50.3 mt -111.48 112.21 39.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.728 -0.669 . . . . 1.31 110.101 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -89.05 98.41 11.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.64 -0.709 . . . . 1.2 110.804 -177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.5 82.51 51.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 1.95 110.668 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.2 102.74 0.31 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.245 1.964 . . . . 2.29 112.587 166.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.59 -51.49 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.002 -1.571 . . . . 2.14 111.117 162.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 38.5 m -118.64 156.73 51.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.263 -0.643 . . . . 1.75 109.263 166.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 60' ' ' ILE . 53.8 Cg_exo -56.07 -52.5 7.16 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.685 1.59 . . . . 1.09 111.061 169.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.58 -23.73 66.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.554 -0.748 . . . . 2.7 111.713 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 55' ' ' SER . 21.4 tt0 -59.59 -54.34 47.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.618 -0.264 . . . . 2.3 111.593 -174.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.748 -0.205 . . . . 0.78 110.944 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 56' ' ' PRO . 24.9 mm -61.56 -49.18 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.47 0.652 . . . . 1.03 110.164 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -66.94 -37.26 83.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.312 -0.858 . . . . 3.35 110.533 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.74 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 1.22 110.695 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.4 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.49 110.817 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.673 HE22 ' HG3' ' A' ' 98' ' ' GLU . 34.2 tt0 -64.42 -41.44 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.763 -0.653 . . . . 2.12 110.721 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.22 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 2.21 110.233 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.533 HD13 HD12 ' A' ' 50' ' ' ILE . 67.2 mt -62.99 -35.34 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.66 110.941 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' HG21 ' A' ' 74' ' ' VAL . . . -66.28 -44.12 84.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.63 111.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.18 -30.99 71.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.973 -0.558 . . . . 2.46 110.563 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -95.55 10.22 37.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.441 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.72 42.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.78 110.834 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.09 107.0 1.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 121.91 1.74 . . . . 1.34 112.108 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.92 -128.93 12.44 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.664 -0.698 . . . . 0.77 112.975 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.51 129.4 17.8 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.727 2.285 . . . . 0.9 112.365 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 67' ' ' ALA . 9.6 p -136.31 143.83 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.479 . . . . 1.5 110.676 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -137.91 107.82 6.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.229 -0.656 . . . . 2.58 109.229 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 104' ' ' VAL . 13.9 t -107.97 140.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 1.16 111.452 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 105' ' ' ARG . 61.2 tp -128.2 133.12 48.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.732 -0.667 . . . . 1.35 109.852 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 60' ' ' ILE . 21.8 t -116.8 129.58 73.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.982 0.42 . . . . 1.01 110.329 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.0 mm? -108.69 119.82 40.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.685 -0.689 . . . . 1.37 110.525 -177.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' THR . 4.4 mp -113.41 99.18 8.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.592 -0.521 . . . . 1.4 109.592 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.521 ' HB ' ' OG ' ' A' ' 29' ' ' SER . 11.8 m -86.78 132.57 33.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.765 0.317 . . . . 2.07 110.719 -178.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.78 -163.34 12.33 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.872 -0.68 . . . . 1.09 111.965 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.3 m -110.84 105.04 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.84 0.352 . . . . 2.22 110.838 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.71 128.37 35.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.181 -0.463 . . . . 1.13 110.542 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.28 140.15 97.66 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 2.07 110.525 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -41.11 -49.35 4.65 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.762 2.974 . . . . 1.3 113.9 -175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 2.0 m-20 -56.2 -53.81 52.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.78 0.324 . . . . 2.43 111.114 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.6 -31.07 68.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 2.37 111.027 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.54 -25.2 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.155 0.503 . . . . 2.81 110.079 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.8 m -84.21 -35.75 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 1.33 110.11 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 75.5 mmtt -63.9 -46.83 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.489 . . . . 2.41 110.183 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.692 -0.685 . . . . 0.78 110.241 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -64.9 -51.12 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.549 . . . . 2.44 111.094 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 2.2 tmtp? -61.02 -43.55 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 2.85 109.873 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.03 84.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.63 110.876 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.82 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.64 111.309 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.6 -31.86 72.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.976 0.417 . . . . 2.62 110.563 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.673 ' HG3' HE22 ' A' ' 64' ' ' GLN . 16.5 tp10 -72.17 -35.28 68.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.944 -0.571 . . . . 2.66 110.174 176.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.88 -13.65 47.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.58 111.448 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -55.39 -38.89 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 3.77 111.634 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -74.11 -4.01 33.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.978 0.418 . . . . 3.24 111.59 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -103.16 20.72 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.996 0.427 . . . . 2.65 110.081 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.3 t30 62.08 34.86 16.17 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.315 -0.857 . . . . 2.0 110.499 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 76' ' ' VAL . 54.8 t -101.69 131.99 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.611 -0.722 . . . . 0.99 110.292 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' O ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmm180 -119.53 133.2 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.389 -0.369 . . . . 4.06 110.14 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' ILE . 13.5 m -123.16 134.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.174 -0.466 . . . . 1.58 110.048 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -151.01 147.61 27.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 3.0 111.834 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 94.5 m -82.5 135.79 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.86 110.466 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.92 129.42 57.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.888 -0.596 . . . . 1.51 110.043 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 p -85.48 -31.12 22.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 1.55 111.372 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -161.7 145.89 9.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.342 -0.614 . . . . 1.52 109.342 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -40.49 -40.1 3.08 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.435 2.757 . . . . 1.05 113.732 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.69 -41.56 43.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.62 -0.718 . . . . 2.48 111.411 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.65 -45.25 75.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.778 -0.646 . . . . 2.7 110.341 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.43 87.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.7 110.552 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.16 -38.38 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.598 -0.728 . . . . 2.33 109.824 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.26 -46.03 90.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.589 . . . . 3.61 110.852 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -66.02 -39.84 90.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.398 -0.365 . . . . 3.39 111.107 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.54 -41.82 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.991 0.424 . . . . 0.81 110.095 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.6 -48.19 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 2.76 111.038 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.15 -42.82 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 2.57 111.868 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.45 -29.88 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.571 0.224 . . . . 3.02 111.36 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 47' ' ' LEU . 14.5 m -81.39 -43.98 18.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.061 0.458 . . . . 1.4 109.867 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 72.1 -54.99 0.68 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 114.687 -1.142 . . . . 4.14 111.728 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.068 -0.968 . . . . 6.29 110.545 178.225 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 49.2 ttm . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.202 -0.295 . . . . 3.09 110.202 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' HB2' HG12 ' A' ' 74' ' ' VAL . 28.0 mmm180 -88.01 98.07 11.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 3.31 110.217 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.524 ' HB2' HD22 ' A' ' 47' ' ' LEU . 2.7 mm? -89.87 130.94 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.2 -0.455 . . . . 1.76 110.275 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.47 127.03 69.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.46 110.403 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 60.4 t -116.24 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.222 -0.445 . . . . 0.52 110.126 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' ' 50' ' ' ILE . 64.7 mt -119.13 109.53 15.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.341 0.591 . . . . 1.33 109.897 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -107.31 128.01 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.34 -0.846 . . . . 1.36 111.099 -171.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.4 t -109.45 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.18 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.422 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 5.6 t -174.23 140.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.857 -0.794 . . . . 3.23 108.857 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.05 83.25 1.96 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.878 -0.729 . . . . 4.58 109.687 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 3.5 m-20 -125.16 166.75 15.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.011 -0.995 . . . . 2.29 109.607 175.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -91.83 -69.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.581 -0.448 . . . . 3.77 110.812 174.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -65.92 -22.7 66.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.203 0.445 . . . . 3.23 112.203 -172.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -80.02 -33.49 39.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.752 -0.462 . . . . 1.39 109.752 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 31' ' ' ASP . 1.8 mp -87.17 -47.76 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.97 111.093 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.3 mt-10 -58.32 -51.01 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 2.42 111.437 -177.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -36.61 79.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.45 -0.341 . . . . 2.53 111.223 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.68 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.61 110.106 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.45 -48.32 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.423 -0.808 . . . . 2.73 110.838 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.2 mttp -60.43 -52.49 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 2.52 110.951 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.6 mmm -60.49 -36.17 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 2.61 111.278 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.8 -48.42 59.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.75 111.913 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.03 -32.14 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.595 -0.442 . . . . 2.57 110.909 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -76.21 -19.42 58.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 2.98 110.625 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.59 10.66 39.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.76 110.771 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 61.01 43.95 10.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.581 -0.736 . . . . 2.22 111.324 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 23' ' ' LEU . 37.5 mt -109.89 155.79 21.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.11 109.967 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -99.61 99.23 10.06 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.344 -0.613 . . . . 2.13 109.344 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.2 tt -111.64 128.09 55.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.087 0.47 . . . . 1.49 110.773 -176.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.8 mt -123.18 133.21 69.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.781 . . . . 1.31 110.093 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.2 p -82.65 110.37 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.134 0.492 . . . . 1.2 110.208 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 53' ' ' PRO . 62.9 t -87.33 145.55 37.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 1.95 111.067 -175.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.572 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.0 Cg_endo -49.99 161.32 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.021 2.481 . . . . 2.29 111.564 168.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.64 12.46 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 115.554 0.982 . . . . 2.14 115.554 -167.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' GLU . 36.9 m -104.7 134.01 19.88 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 118.063 0.931 . . . . 1.75 110.399 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.46 ' HG3' ' HB3' ' A' ' 88' ' ' GLU . 71.5 Cg_endo -71.68 -36.96 5.77 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.038 2.492 . . . . 1.09 113.248 -173.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.07 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 2.7 110.977 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 8.7 mm-40 -61.01 -43.67 98.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 2.3 110.349 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.52 83.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.78 111.023 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.588 HG21 ' HB1' ' A' ' 95' ' ' ALA . 30.0 mm -65.48 -48.83 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.274 0.559 . . . . 1.03 110.575 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -76.9 -14.6 59.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 3.35 111.029 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -77.43 -42.44 36.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.439 -0.949 . . . . 1.22 108.439 171.641 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.49 110.5 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -57.5 -37.06 72.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.617 -0.719 . . . . 2.12 110.761 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -73.86 -33.72 64.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 2.21 110.626 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -85.52 -52.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.443 -0.344 . . . . 0.66 111.912 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.81 87.38 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.8 0.667 . . . . 0.63 112.8 -170.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.21 -35.45 77.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.085 0.469 . . . . 2.46 110.764 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -85.82 2.42 45.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.37 -0.377 . . . . 2.41 111.399 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.83 118.44 66.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.493 -0.322 . . . . 0.78 110.765 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -82.56 108.67 1.72 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.199 1.932 . . . . 1.34 111.584 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.25 -174.68 19.89 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.77 111.91 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' A' ' 21' ' ' MET . 8.7 Cg_exo -72.43 118.89 5.81 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.787 2.325 . . . . 0.9 111.794 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 22' ' ' ARG . 3.7 m -144.53 144.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.166 0.507 . . . . 1.5 111.448 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -143.28 140.17 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 2.58 108.948 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 139.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.365 -0.38 . . . . 1.16 110.76 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.21 121.37 44.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.317 -0.623 . . . . 1.35 109.317 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 106' ' ' VAL . 86.1 t -103.7 122.88 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.011 0.434 . . . . 1.01 110.095 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.635 ' HG ' ' CZ2' ' A' ' 118' ' ' TRP . 3.2 mm? -115.1 108.35 16.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.763 -0.653 . . . . 1.37 111.177 -174.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.4 121.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.019 -0.734 . . . . 1.4 109.019 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 29' ' ' SER . 8.6 m -106.88 128.5 54.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.321 -0.399 . . . . 2.07 110.711 -175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.0 -158.03 15.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.745 -0.741 . . . . 1.09 111.903 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -92.93 127.22 38.37 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.338 -0.245 . . . . 2.22 110.338 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.02 128.82 39.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 1.13 110.897 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.91 135.79 96.45 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 2.07 109.967 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.51 -50.31 4.73 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.444 2.763 . . . . 1.3 113.967 -175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -69.07 -44.65 72.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.857 0.361 . . . . 2.43 110.658 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HB3' ' HG3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -64.98 -36.52 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 2.37 110.856 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.91 -40.62 95.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.22 -0.445 . . . . 2.81 109.817 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.6 m -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.808 -0.633 . . . . 1.33 110.502 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -64.11 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 2.41 111.281 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . . . -69.06 -46.49 67.71 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.154 -0.476 . . . . 0.78 110.198 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 20.0 pttp -73.07 -31.95 64.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.116 -0.493 . . . . 2.44 110.772 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -50.16 64.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 2.85 109.843 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.588 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -66.22 -31.89 72.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.63 110.451 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.64 111.402 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 41.6 mt-10 -69.89 -22.14 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 2.62 111.153 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.191 0.52 . . . . 2.66 109.837 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.65 62.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 0.58 112.468 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -16.02 60.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 3.77 111.03 -179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -60.94 -33.67 73.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.19 0.519 . . . . 3.24 110.397 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.33 20.38 11.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 2.65 110.191 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 63.46 38.91 9.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.31 -0.859 . . . . 2.0 111.283 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.81 114.11 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 0.99 110.034 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -107.36 131.34 54.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.163 -0.472 . . . . 4.06 110.21 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 78' ' ' VAL . 19.0 t -117.08 130.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.392 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.87 158.13 43.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.94 0.4 . . . . 3.0 111.199 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.2 m -101.54 128.91 47.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.613 -0.721 . . . . 0.86 110.624 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 m -114.59 141.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.997 0.427 . . . . 1.51 110.155 176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -113.69 -22.95 9.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.125 -0.489 . . . . 1.55 111.595 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.0 p -126.79 146.82 58.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 1.52 111.178 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.62 -23.24 74.65 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.934 2.423 . . . . 1.05 111.569 173.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 6.0 m-20 -63.37 -47.01 83.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.845 -0.616 . . . . 2.48 109.845 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.22 -37.56 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.274 -0.875 . . . . 2.7 109.613 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.804 ' HA ' ' NE1' ' A' ' 118' ' ' TRP . . . -56.96 -53.23 60.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.291 -0.868 . . . . 0.7 111.95 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 23.1 pttp -65.53 -20.34 66.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.677 0.275 . . . . 2.33 111.445 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.35 -48.12 14.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.072 -0.251 . . . . 3.61 111.385 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.804 ' NE1' ' HA ' ' A' ' 115' ' ' ALA . 29.5 p-90 -66.53 -26.5 67.17 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.839 -0.744 . . . . 3.39 110.933 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 115' ' ' ALA . 69.5 mt -60.04 -55.58 23.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.707 0.289 . . . . 0.81 110.842 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.33 -35.45 79.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 2.76 110.706 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.06 -26.58 61.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.57 111.095 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -90.5 -18.9 24.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 3.02 110.878 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.425 ' HA ' HD21 ' A' ' 47' ' ' LEU . 34.7 t -69.97 -34.93 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 1.4 110.935 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -98.21 174.96 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.408 -0.36 . . . . 4.14 110.226 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 6.29 111.101 -179.36 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.83 0.348 . . . . 3.09 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 2.1 mmp_? -95.55 89.97 5.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.426 -0.583 . . . . 3.31 109.426 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.2 mt -89.27 99.5 12.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.516 . . . . 1.76 109.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.04 131.69 49.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 0.46 110.71 -176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.2 t -119.33 133.75 65.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.782 -0.644 . . . . 0.52 109.407 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HB3' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -121.63 133.41 54.98 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.159 -0.312 . . . . 1.33 110.159 178.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -124.02 140.48 47.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.983 0.421 . . . . 1.36 110.471 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -89.04 135.14 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 1.37 110.263 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.5 m -59.91 139.63 57.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.316 0.579 . . . . 3.23 111.715 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.543 ' H ' HD11 ' A' ' 35' ' ' ILE . 60.5 t30 -172.07 -172.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.644 -1.243 . . . . 4.58 107.644 -174.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -41.75 133.93 2.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.101 0.477 . . . . 2.29 110.602 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -22.58 63.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 3.77 112.918 -170.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -67.54 -37.6 82.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.943 0.401 . . . . 3.23 110.28 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD22 HD22 ' A' ' 30' ' ' ASN . 6.9 tp -70.07 -45.83 66.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 1.39 110.36 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' H ' ' A' ' 30' ' ' ASN . 65.5 mt -61.32 -41.53 90.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.661 -0.7 . . . . 0.97 110.281 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.45 -40.45 89.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.535 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 13.5 tp10 -60.4 -47.46 85.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 2.53 110.214 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.99 94.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.494 . . . . 0.61 110.588 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 39' ' ' ARG . 43.8 ttm180 -58.73 -52.85 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 2.73 110.862 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 50.6 mtmt -48.33 -52.93 19.31 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.555 0.534 . . . . 2.52 111.688 177.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 mmt -72.28 -42.89 65.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.195 -0.457 . . . . 2.61 112.024 -173.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.45 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.694 0.283 . . . . 0.75 111.028 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.76 -38.34 83.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.352 -0.385 . . . . 2.57 110.882 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.69 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 2.98 110.577 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.67 2.26 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.76 111.191 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 66.18 33.05 7.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.851 -0.613 . . . . 2.22 111.509 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.51 145.06 24.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.947 -0.57 . . . . 1.11 109.544 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.54 99.45 10.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.026 0.441 . . . . 2.13 110.028 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 59.7 tp -97.85 127.47 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.49 111.537 -175.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.97 129.84 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.886 -0.597 . . . . 1.31 109.771 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.3 p -88.05 128.14 35.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.185 -0.461 . . . . 1.2 111.023 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 53' ' ' PRO . 19.4 t -114.76 146.68 36.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 1.95 110.606 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.562 ' O ' HG12 ' A' ' 52' ' ' VAL . 6.8 Cg_endo -48.37 160.44 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.245 2.63 . . . . 2.29 112.312 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.23 -4.78 31.28 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.359 -0.837 . . . . 2.14 114.801 -169.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 m -90.18 118.74 69.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 117.478 0.639 . . . . 1.75 110.711 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 60' ' ' ILE . 77.9 Cg_exo -54.51 -26.85 47.19 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.526 2.817 . . . . 1.09 112.809 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.12 -48.54 64.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.456 -0.793 . . . . 2.7 111.089 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -81.09 -27.43 35.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.754 -0.657 . . . . 2.3 111.375 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -58.4 -52.14 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.987 0.422 . . . . 0.78 111.187 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 56' ' ' PRO . 5.5 mm -70.43 -36.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 1.03 110.485 -176.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 -69.34 -30.58 68.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 3.35 110.437 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -72.69 -43.12 63.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.383 -0.599 . . . . 1.22 109.383 177.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.43 81.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.49 111.232 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.61 -37.98 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 2.12 110.689 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.35 -49.48 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 2.21 110.596 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.92 -42.45 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 120.909 -0.317 . . . . 0.66 111.147 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 102' ' ' TRP . . . -66.64 -34.88 78.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.946 0.403 . . . . 0.63 111.389 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -71.21 -38.38 72.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 2.46 110.467 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -96.67 20.08 11.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.947 -0.569 . . . . 2.41 111.425 -175.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.38 120.92 55.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.274 -0.421 . . . . 0.78 111.009 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.24 107.96 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.184 1.922 . . . . 1.34 111.86 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.27 -171.3 13.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.994 -0.622 . . . . 0.77 111.801 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.76 119.56 6.6 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.487 2.125 . . . . 0.9 111.553 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.22 143.17 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.99 0.424 . . . . 1.5 111.278 -175.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -150.6 127.31 10.93 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.348 -0.612 . . . . 2.58 109.348 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.2 t -111.19 139.73 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.047 0.451 . . . . 1.16 111.661 -170.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 tp -115.27 124.21 50.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.719 -0.673 . . . . 1.35 109.76 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.37 119.62 59.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 1.01 110.637 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.1 mm? -96.17 99.79 11.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.769 -0.65 . . . . 1.37 110.041 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 108' ' ' THR . 34.7 pt -90.62 138.06 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.541 -0.54 . . . . 1.4 109.541 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -125.77 154.47 42.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.839 0.352 . . . . 2.07 111.03 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.42 178.15 51.36 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.863 -0.608 . . . . 1.09 112.173 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.9 m -90.09 99.46 12.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.712 -0.477 . . . . 2.22 109.712 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.52 7.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.78 -0.645 . . . . 1.13 110.46 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -66.09 150.82 96.37 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 2.07 110.146 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -41.83 -45.27 6.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.762 2.974 . . . . 1.3 114.002 -174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.85 -50.75 72.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 2.43 111.329 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.38 -34.55 63.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.639 -0.255 . . . . 2.37 111.197 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.99 -48.65 77.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.479 -0.328 . . . . 2.81 110.755 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.0 m -64.99 -37.15 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.33 110.561 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -66.51 -38.35 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 2.41 110.144 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.56 73.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.78 110.1 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -65.38 -44.64 86.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 2.44 111.002 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -64.43 -42.5 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.854 0.359 . . . . 2.85 110.154 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.0 97.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.476 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.64 110.968 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.97 -41.69 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 2.62 110.011 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -73.59 -48.51 32.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.78 -0.646 . . . . 2.66 110.973 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 102' ' ' TRP . . . -72.0 -13.51 61.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 0.58 112.176 -174.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.36 -29.48 34.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.91 0.386 . . . . 3.77 111.333 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 101' ' ' LYS . 2.2 tpmt? -63.85 -16.44 61.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.037 -0.529 . . . . 3.24 111.406 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.435 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 25.5 m-90 -103.4 11.02 37.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.674 0.273 . . . . 2.65 111.492 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 63.43 65.54 0.75 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.726 -0.67 . . . . 2.0 110.714 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.66 135.33 59.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.914 -0.585 . . . . 0.99 109.916 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -120.67 120.68 36.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 4.06 110.326 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 m -95.72 129.72 45.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.168 -0.469 . . . . 1.58 110.142 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -137.17 151.57 48.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.068 -0.345 . . . . 3.0 110.068 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 19.3 m -96.98 130.78 44.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.035 0.445 . . . . 0.86 111.482 -175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.5 m -114.53 109.45 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.51 110.718 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.7 p -84.7 -40.18 17.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 1.55 110.534 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -126.38 160.83 55.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.725 -0.671 . . . . 1.52 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.5 -28.3 73.08 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.344 2.029 . . . . 1.05 111.724 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.25 -34.92 64.44 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.691 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -72.74 -48.1 41.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.576 -0.738 . . . . 2.7 110.121 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.0 82.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.7 110.491 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.8 -48.13 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 2.33 111.309 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 118' ' ' TRP . 12.4 ptm180 -72.39 -39.9 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 3.61 111.539 -175.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.495 ' N ' ' HG3' ' A' ' 117' ' ' ARG . 6.6 m95 -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.439 -0.504 . . . . 3.39 110.651 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.51 -32.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.063 -0.517 . . . . 0.81 110.515 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.95 -42.05 34.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.475 . . . . 2.76 110.883 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.31 -30.47 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.52 . . . . 2.57 111.727 -174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -84.57 -37.15 21.54 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.003 -0.279 . . . . 3.02 111.558 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 p -69.6 -38.4 77.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.178 -0.209 . . . . 1.4 110.72 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 53.53 52.65 12.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.474 0.654 . . . . 4.14 110.757 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.186 -0.916 . . . . 6.29 108.992 178.702 . . . . . . . . 0 0 . 1 stop_ save_