data_2joe_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2joe _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 4.5 pt-20 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -104.63 145.23 30.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 -164.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m -96.13 126.25 41.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.522 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.474 ' HG3' ' HE3' ' A' ' 115' ' ' MET . 71.7 mmtt -112.92 114.48 26.99 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 131' ' ' LYS . 58.0 tttp -116.6 116.0 26.77 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.481 -171.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.632 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 13.1 p90 -109.54 160.8 15.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 20' ' ' ALA . 31.9 t -145.58 107.75 4.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.22 115.68 30.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.496 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -92.21 97.68 11.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -142.81 146.78 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.459 -174.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 66.93 1.75 2.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.094 0.473 . . . . 0.0 112.025 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 -3.39 57.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.303 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.458 HG21 ' HA ' ' A' ' 39' ' ' ILE . 3.6 p -108.07 128.83 55.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.535 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.0 mt-10 -94.38 94.58 8.35 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.471 HG12 HG23 ' A' ' 37' ' ' THR . 61.7 mt -93.9 107.09 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.928 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -118.8 107.02 13.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.168 0.509 . . . . 0.0 109.97 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 63.4 mt -96.73 116.84 39.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.794 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.51 HG21 ' HB2' ' A' ' 9' ' ' LYS . 2.1 m -98.9 89.42 4.3 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.477 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.489 ' CE2' ' HG2' ' A' ' 118' ' ' MET . 28.7 p90 -96.61 124.35 40.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.486 0.66 . . . . 0.0 111.009 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 123.23 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.124 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -117.02 150.61 38.33 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.724 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 72.5 tttt -132.29 113.29 13.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.8 -115.96 4.15 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.889 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.15 3.74 13.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.03 0.443 . . . . 0.0 110.332 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HD3' HD23 ' A' ' 31' ' ' LEU . 50.3 tttm -111.78 130.03 55.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.67 135.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD23 ' HD3' ' A' ' 29' ' ' LYS . 96.3 mt -120.58 -30.48 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -172.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.37 124.61 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.878 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 50.6 tt0 -108.36 99.83 9.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.607 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.435 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 32.3 t -85.51 96.03 9.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.53 ' HA ' HG12 ' A' ' 21' ' ' ILE . 19.3 m -97.44 92.91 6.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.376 0.607 . . . . 0.0 109.506 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.7 107.26 19.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.854 -174.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.471 HG23 HG12 ' A' ' 19' ' ' ILE . 60.3 m -107.2 108.74 20.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.222 -176.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 81.9 tttt -86.32 98.87 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.284 0.564 . . . . 0.0 110.295 177.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.458 ' HA ' HG21 ' A' ' 17' ' ' THR . 55.0 mt -88.9 134.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.97 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -97.35 148.19 23.41 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.515 ' HA ' HG21 ' A' ' 44' ' ' ILE . 7.3 m-85 -71.71 174.43 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.39 -57.2 0.58 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.591 0.557 . . . . 0.0 110.951 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -62.86 -37.03 85.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 111.046 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.677 HG23 ' H ' ' A' ' 46' ' ' ALA . 6.9 tt -73.23 -17.79 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.282 0.563 . . . . 0.0 110.636 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -1.62 60.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.75 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.677 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -99.63 133.67 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.245 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -101.08 -19.89 15.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.965 0.412 . . . . 0.0 110.521 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 ' H ' ' A' ' 51' ' ' ASP . 8.3 t -133.04 158.17 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.343 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 21.6 pttp -63.48 -29.53 70.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.411 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.94 -52.43 63.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.352 0.596 . . . . 0.0 110.245 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' H ' HG21 ' A' ' 48' ' ' THR . 16.3 t70 -64.19 -32.31 73.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.19 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.887 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -61.99 -39.79 93.41 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.252 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.13 -17.28 57.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.187 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -97.05 -35.15 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -83.8 -44.1 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 49.3 mt-10 -48.88 -54.55 26.84 Favored Pre-proline 0 N--CA 1.467 0.416 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 86.6 Cg_exo -43.83 -39.55 10.69 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.899 2.4 . . . . 0.0 113.502 175.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.0 -46.95 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.284 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -64.89 -27.79 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.093 0.473 . . . . 0.0 110.677 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.07 -8.48 56.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.974 ' HB3' HD13 ' A' ' 99' ' ' ILE . 79.6 mttt -69.03 -34.31 75.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.548 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.636 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.1 m-85 -66.47 -48.45 69.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 76.7 tttt 49.05 -93.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.082 0.864 . . . . 0.0 112.659 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.409 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 7.5 t-20 -147.71 42.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 0.0 110.195 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.659 HD12 HG13 ' A' ' 99' ' ' ILE . 58.6 mt -57.66 -43.24 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.684 0.754 . . . . 0.0 109.848 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -164.14 -149.59 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.212 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.06 54.1 3.05 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.433 -0.889 . . . . 0.0 110.947 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.2 m -96.07 102.77 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.455 0.645 . . . . 0.0 111.112 -175.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.749 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 36.3 mm-40 -93.68 130.84 39.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.464 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.2 101.9 8.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.191 0.52 . . . . 0.0 111.169 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.749 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.2 mptp? -104.9 97.94 7.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.063 -0.398 . . . . 0.0 110.999 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.37 98.99 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.95 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 72.9 p -101.74 109.16 20.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 13.5 p90 -143.35 131.94 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.351 0.596 . . . . 0.0 111.468 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -101.84 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.713 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -171.47 -33.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.563 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.4 m -87.46 -34.76 18.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 111.459 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -148.2 159.77 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.339 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.06 110.77 13.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.606 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -98.13 107.21 19.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -177.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.68 92.89 9.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.475 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.76 106.57 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' HB ' ' HB2' ' A' ' 35' ' ' SER . 53.6 t -103.61 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.272 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 34.5 m -135.35 101.78 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.957 0.408 . . . . 0.0 109.997 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 68.2 mt -95.26 114.65 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.326 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 91' ' ' VAL . 22.5 t70 -83.74 119.79 25.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.55 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.523 ' HE3' ' HB2' ' A' ' 33' ' ' GLN . 51.3 mtt -91.9 21.37 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.929 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -109.86 1.95 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.271 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -147.45 15.52 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.252 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -65.13 134.62 29.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.025 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -101.77 108.92 20.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.768 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.527 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 61.3 m-85 -80.79 -8.91 59.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.508 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.03 -57.97 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.64 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.607 ' O ' HG12 ' A' ' 99' ' ' ILE . . . -71.95 -35.49 69.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.038 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.86 -31.3 59.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.774 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 27.2 mm-40 -64.64 -20.68 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.37 5.59 33.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.955 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.974 HD13 ' HB3' ' A' ' 62' ' ' LYS . 32.3 mm . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.085 0.469 . . . . 0.0 110.387 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.542 ' HA ' ' NE2' ' A' ' 117' ' ' GLN . 20.2 t0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.54 71.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -173.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.81 -36.71 17.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -92.12 -10.19 39.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.527 ' HA2' ' CZ ' ' A' ' 93' ' ' PHE . . . 112.02 121.01 3.93 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.501 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.8 mm -62.54 121.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.158 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -115.81 155.46 27.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.474 ' HE3' ' HG3' ' A' ' 8' ' ' LYS . 15.1 tpt -60.41 -41.93 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 118.07 0.396 . . . . 0.0 111.126 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.9 79.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.235 0.541 . . . . 0.0 110.506 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 108' ' ' ASP . 13.2 mt-30 -68.67 -67.25 0.48 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.674 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.489 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -43.18 -44.9 5.36 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.456 . . . . 0.0 112.139 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 2.4 mm-40 -59.15 -65.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.82 -30.21 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.395 0.617 . . . . 0.0 111.404 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 t -79.29 -38.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.449 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 18.2 mmt -74.63 -29.74 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.633 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.1 mptt -69.21 -36.18 76.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 172.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.66 -29.9 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.656 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.32 -13.32 61.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.155 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.4 27.22 64.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.58 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -92.76 153.33 18.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.647 0.26 . . . . 0.0 110.337 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -103.34 122.13 44.18 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 110.478 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 6.8 pt-20 -82.15 137.52 34.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.1 0.85 10.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.492 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 49.4 mttp . . . . . 0 C--O 1.222 -0.384 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.627 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.85 151.32 37.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.2 p -137.27 135.89 37.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 0.0 111.165 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.921 ' HE2' ' HG2' ' A' ' 129' ' ' GLU . 14.2 tttt -134.14 98.06 4.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.068 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.1 ttmm -89.17 118.01 28.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.5 p90 -105.12 144.95 31.21 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.608 ' OG ' HG21 ' A' ' 130' ' ' VAL . 22.5 p -135.48 116.77 14.56 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.907 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.64 128.19 32.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 111.703 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 18.7 t-20 -88.11 99.81 12.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 84.85 4.65 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.297 177.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 74.56 -56.47 0.64 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.241 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.6 -34.65 0.12 Allowed Glycine 0 C--N 1.312 -0.799 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.768 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 123.69 39.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.633 0.254 . . . . 0.0 111.129 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 1.9 mt-10 -97.24 96.51 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 37' ' ' THR . 57.9 mt -93.07 121.33 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.197 0.523 . . . . 0.0 110.891 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -116.55 103.63 10.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.262 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.755 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -101.17 124.41 54.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.155 0.502 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.2 m -108.56 105.85 15.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.963 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 7' ' ' SER . 50.3 m-85 -83.29 105.79 14.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.618 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -92.1 98.4 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.644 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 28.4 p90 -125.69 162.4 25.11 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.029 -172.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -141.31 116.91 10.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.8 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.3 -116.06 4.15 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -171.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -115.21 -12.24 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.761 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -93.99 123.06 37.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.048 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.644 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 19.2 t -74.44 124.23 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 169.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.7 -36.18 9.21 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.319 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -134.91 116.94 15.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 0.0 109.848 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -110.63 111.2 22.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.809 -176.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.477 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 34.7 t -92.06 94.32 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 9.2 m -97.35 101.86 13.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 22.8 mt-10 -108.1 107.54 18.24 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.386 -171.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 11.0 m -87.18 107.94 18.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.142 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HG2' ' NE2' ' A' ' 40' ' ' GLN . 51.6 tttm -82.73 93.83 7.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.604 0.716 . . . . 0.0 109.83 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.6 mt -90.17 119.37 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.341 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.542 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 20.7 mm-40 -88.5 154.6 20.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -61.43 -31.31 71.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.632 0.253 . . . . 0.0 111.543 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.01 -18.67 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.874 0.369 . . . . 0.0 110.984 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -83.16 -37.51 23.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.986 0.422 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 tt -87.25 -32.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.151 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.32 33.8 8.48 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.723 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . . . -104.09 144.95 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.188 . . . . 0.0 110.626 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.35 -50.27 7.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.343 0.592 . . . . 0.0 110.391 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.2 p -127.89 176.0 7.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.01 -20.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.95 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.46 -51.42 63.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 9.1 m-20 -59.93 -41.25 91.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.333 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.93 51.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.324 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.4 -44.54 96.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.16 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -61.64 -17.3 54.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 m -95.73 -36.76 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.249 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.01 -36.38 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 33.1 mt-10 -51.84 -45.71 92.25 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 80.4 Cg_exo -41.38 -40.82 4.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.22 2.613 . . . . 0.0 114.08 172.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.33 -41.26 73.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.628 0.251 . . . . 0.0 111.24 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -60.99 -20.59 62.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 111.603 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.36 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.776 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.8 -34.45 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.938 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 95.0 m-85 -75.83 -20.74 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.492 -170.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 71.4 mmtt -78.63 22.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.082 0.468 . . . . 0.0 111.757 -175.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -135.19 5.99 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.437 0.637 . . . . 0.0 109.308 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -126.02 93.56 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.177 -172.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB2' ' HD3' ' A' ' 90' ' ' LYS . . . 47.9 -146.06 0.28 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.672 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.89 29.5 7.94 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 86' ' ' ILE . 16.9 t -85.44 111.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.95 143.33 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.066 0.46 . . . . 0.0 111.406 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.513 ' HG3' HG23 ' A' ' 84' ' ' VAL . 40.9 tt0 -107.43 107.21 17.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.272 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -100.15 107.6 19.52 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.639 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 85.6 mt -84.44 124.75 31.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.1 p -119.53 121.04 38.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.447 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 44.3 m-85 -114.06 128.85 56.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 -175.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 m -108.59 -79.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.63 -67.7 0.25 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -100.56 0.55 39.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.572 . . . . 0.0 110.998 -174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -149.96 157.14 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.64 130.87 38.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.603 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 23.3 mt-30 -99.33 119.3 37.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.367 0.603 . . . . 0.0 110.94 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 25.0 tt0 -85.8 88.33 7.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.264 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.0 t-20 -84.13 95.63 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.258 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.513 HG23 ' HG3' ' A' ' 71' ' ' GLU . 48.9 t -96.57 101.56 12.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.142 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.0 m -91.17 106.07 18.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.561 ' HA ' HG11 ' A' ' 69' ' ' VAL . 43.8 mt -99.39 124.2 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 -178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 11.3 t70 -91.37 113.99 26.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.489 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.8 mmt -90.2 6.41 42.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.498 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 25.5 mm-40 -84.29 -2.41 56.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.254 0.55 . . . . 0.0 109.715 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' HD3' ' HB2' ' A' ' 67' ' ' ALA . 56.9 tttt -150.58 -62.05 0.19 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.271 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER 51.77 -167.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.319 -166.219 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.588 ' H ' HG12 ' A' ' 91' ' ' VAL . 14.6 t70 -144.47 95.16 2.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 159.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -69.78 -10.21 57.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.217 -170.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -86.24 -51.61 6.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.84 -10.97 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 110.454 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 18.4 tp -61.42 -17.56 54.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.676 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -62.66 -23.23 66.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.27 55.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.144 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.2 pt . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.958 0.409 . . . . 0.0 111.363 -178.074 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.68 0.752 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 113' ' ' ILE . . . -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.511 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -96.59 -33.91 11.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.338 0.589 . . . . 0.0 110.47 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.2 -30.75 34.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.747 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 142.08 108.01 0.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.152 -1.023 . . . . 0.0 112.732 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.498 HD11 ' HE2' ' A' ' 118' ' ' MET . 46.0 mm -76.0 112.77 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.001 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.646 ' HG1' ' NE2' ' A' ' 117' ' ' GLN . 81.3 p -127.94 179.05 5.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.4 tpt -71.69 -39.37 70.27 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.664 -0.415 . . . . 0.0 109.976 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.12 73.91 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.027 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.646 ' NE2' ' HG1' ' A' ' 114' ' ' THR . 1.1 mp0 -59.35 -66.51 0.5 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.479 174.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.498 ' HE2' HD11 ' A' ' 113' ' ' ILE . 23.1 mmt -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.36 -66.38 0.47 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.648 0.261 . . . . 0.0 111.352 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.14 -35.37 80.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.263 0.554 . . . . 0.0 111.215 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.5 t -70.7 -44.32 76.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.514 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.658 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -76.08 -30.48 58.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.686 0.279 . . . . 0.0 111.276 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.89 -19.55 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.64 47.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.203 0.525 . . . . 0.0 110.082 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.51 -17.95 57.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.55 38.83 6.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.414 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.658 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.9 m-85 -101.69 159.23 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -125.28 136.79 53.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.921 ' HG2' ' HE2' ' A' ' 8' ' ' LYS . 2.8 mp0 -69.66 139.22 53.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.578 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.608 HG21 ' OG ' ' A' ' 11' ' ' SER . 45.3 t -118.26 -23.79 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.407 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 51.5 mmtt . . . . . 0 N--CA 1.468 0.432 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.325 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 35.0 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.512 ' HG2' ' HH ' ' A' ' 25' ' ' TYR . 3.8 tp10 -146.02 141.29 27.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.2 m -116.42 129.8 56.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.373 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 11.1 mmtp -113.19 95.14 5.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.432 175.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.6 tttt -90.4 124.17 34.72 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.0 p90 -121.69 157.38 31.02 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 130' ' ' VAL . 6.8 m -147.66 115.07 6.29 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.538 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 124.81 35.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.99 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.535 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 43.0 t-20 -92.65 108.38 19.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.12 43.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 110.787 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 77.13 -56.42 0.53 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.018 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.8 -37.28 9.52 Favored Glycine 0 C--N 1.313 -0.708 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.826 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -136.57 139.56 42.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.776 0.322 . . . . 0.0 111.278 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.8 mt-10 -102.47 97.37 7.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.412 HG12 HG23 ' A' ' 37' ' ' THR . 54.0 mt -95.63 115.26 34.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.012 0.434 . . . . 0.0 111.128 -172.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB3' ' OG ' ' A' ' 11' ' ' SER . . . -120.11 111.56 18.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.86 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 35' ' ' SER . 57.9 mt -113.36 128.78 70.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.029 -175.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 26.1 m -99.67 103.47 15.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 174.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 7' ' ' SER . 84.8 m-85 -82.82 102.34 11.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.645 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.41 98.57 8.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HH ' ' HG2' ' A' ' 6' ' ' GLU . 45.9 p90 -109.55 144.14 38.24 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.482 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' ' 5' ' ' GLU . 32.1 ttmt -143.36 116.45 8.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.388 -173.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.23 4.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.058 -1.067 . . . . 0.0 110.537 -168.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -108.61 -30.61 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 110.684 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.535 ' HD2' HD23 ' A' ' 31' ' ' LEU . 25.8 ttmt -90.07 145.96 24.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.268 -172.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 25' ' ' TYR . 39.3 t -80.12 94.28 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 167.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 29' ' ' LYS . 67.6 mt -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -168.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -135.94 118.31 15.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.319 0.581 . . . . 0.0 110.618 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.41 103.87 13.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 26.1 m -87.72 90.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.045 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.537 ' HA ' HG12 ' A' ' 21' ' ' ILE . 5.8 m -97.6 97.51 9.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.264 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.06 109.27 21.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.128 0.489 . . . . 0.0 110.244 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.412 HG23 HG12 ' A' ' 19' ' ' ILE . 85.8 m -95.51 110.44 22.51 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.446 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 28.4 tttm -82.4 104.05 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 109.752 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.2 mt -99.53 127.56 52.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.391 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -85.49 149.73 25.19 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 44' ' ' ILE . 3.6 m-30 -64.92 -15.1 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.44 60.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.682 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -94.05 -30.79 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.548 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 41' ' ' PHE . 10.1 tt -79.93 -30.48 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.53 36.7 13.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.981 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.01 146.77 33.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.49 -44.98 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.353 . . . . 0.0 111.525 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -128.41 175.56 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.216 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.68 -20.73 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.047 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.07 -48.52 73.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.48 -42.37 87.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.018 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.52 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.162 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.999 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -66.3 -13.01 59.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.4 m -99.39 -48.11 4.91 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 98.8 mt -93.38 -36.31 12.57 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -166.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 31.5 mt-10 -47.37 -50.14 50.23 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 14.9 Cg_endo -60.58 -12.78 22.47 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.228 1.952 . . . . 0.0 113.627 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.19 -42.39 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.755 0.312 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 m -61.31 -22.18 64.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.852 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -24.73 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.544 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -64.96 -27.42 68.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 111.009 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.619 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 58.1 m-85 -69.85 -33.93 72.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.248 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -77.58 12.66 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.072 0.463 . . . . 0.0 111.399 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -108.04 -8.75 15.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.445 0.64 . . . . 0.0 109.458 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -98.19 -71.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.576 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB3' HG22 ' A' ' 69' ' ' VAL . . . -169.25 -146.12 0.06 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.906 -174.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.18 13.53 3.43 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.619 ' O ' ' HB3' ' A' ' 63' ' ' TYR . 2.8 t -82.04 104.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -132.32 158.22 42.45 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.254 0.55 . . . . 0.0 111.474 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 84' ' ' VAL . 39.4 tt0 -125.67 130.93 52.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.054 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -120.58 112.62 19.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.152 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.554 HD11 ' HH ' ' A' ' 75' ' ' TYR . 88.3 mt -93.66 102.27 14.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.929 -178.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.59 ' HG1' ' HB2' ' A' ' 81' ' ' GLN . 25.6 p -101.73 121.14 41.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.213 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.554 ' HH ' HD11 ' A' ' 73' ' ' LEU . 39.8 m-85 -106.73 137.5 44.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.663 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -104.47 -83.8 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.0 -59.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -92.0 -17.56 24.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.659 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -145.53 164.11 32.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.051 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.31 48.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.59 ' HB2' ' HG1' ' A' ' 74' ' ' THR . 21.7 mt-30 -99.57 113.62 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.39 85.58 6.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.92 102.95 8.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.083 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 71' ' ' GLU . 50.4 t -106.99 106.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.235 -176.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.7 m -97.83 104.58 16.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.274 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.54 ' HA ' HG13 ' A' ' 69' ' ' VAL . 46.9 mt -97.79 122.83 49.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.74 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.448 ' O ' HG11 ' A' ' 91' ' ' VAL . 23.3 t70 -98.31 115.39 28.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.4 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.437 ' HA ' HG21 ' A' ' 91' ' ' VAL . 24.3 mmt -93.83 13.13 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.292 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -89.68 -3.75 58.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.5 0.667 . . . . 0.0 109.505 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 84.9 tttt -143.3 -66.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.619 175.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.448 HG11 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 39.38 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.249 1.02 . . . . 0.0 113.524 -174.296 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 21.0 t70 -159.95 101.17 1.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.623 167.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -71.83 -3.64 23.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.83 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -85.73 -58.78 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.62 62.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.591 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 8.5 tp -55.8 -33.23 64.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.215 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.78 -36.3 47.05 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.769 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.14 86.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.542 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 117.165 0.482 . . . . 0.0 112.248 -177.456 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.596 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 9.2 t70 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.126 0.489 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -66.73 -15.53 63.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.099 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -87.63 -16.04 35.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.376 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' A' ' 108' ' ' ASP . 80.8 mttt -78.04 -39.83 40.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.365 0.602 . . . . 0.0 110.314 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 104.52 1.55 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 109' ' ' ALA . 45.1 mm -75.08 105.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.548 0.69 . . . . 0.0 111.846 -172.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 43.1 p -117.38 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.834 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.407 ' HE2' ' OE2' ' A' ' 119' ' ' GLU . 13.8 tpt -75.29 -35.22 61.33 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.32 -44.95 72.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.302 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.426 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.6 mp0 -58.95 -66.19 0.54 Allowed 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 176.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 122' ' ' MET . 25.9 mmt -50.27 -43.35 53.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' OE2' ' HE2' ' A' ' 115' ' ' MET . 26.6 mm-40 -56.52 -60.42 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 111.452 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.56 -35.74 77.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.219 0.533 . . . . 0.0 111.201 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.7 t -73.17 -43.46 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.933 -174.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.71 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -72.3 -31.64 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.743 0.306 . . . . 0.0 111.082 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.52 -16.12 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.85 48.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.116 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.58 -19.79 30.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.6 28.05 9.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.645 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.71 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 22.6 m-85 -86.38 148.71 25.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.407 ' HB3' ' HE3' ' A' ' 128' ' ' LYS . 23.2 ttpp -120.43 142.59 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -61.76 159.13 14.2 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.855 0.836 . . . . 0.0 112.209 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 11' ' ' SER . 41.7 t -139.84 -44.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.402 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.434 ' CA ' ' HB3' ' A' ' 9' ' ' LYS . 52.1 mttt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.77 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -98.32 125.16 43.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.503 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 p -101.17 139.01 37.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.11 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 22' ' ' THR . 16.4 mmtp -136.06 111.23 8.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 172.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.13 115.72 30.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.248 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.0 p90 -116.04 165.05 13.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 32.2 t -156.4 119.27 4.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.143 0.497 . . . . 0.0 110.57 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.31 110.33 21.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.026 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.28 89.03 7.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.508 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 14' ' ' LEU . 3.2 pp -134.32 147.27 50.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.041 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t30 71.35 -14.2 0.49 Allowed 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.533 0.521 . . . . 0.0 112.234 173.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 110.06 6.34 28.05 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -172.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 HG13 ' A' ' 39' ' ' ILE . 5.3 p -115.95 121.37 42.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.553 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.6 mt-10 -88.34 98.55 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 11' ' ' SER . 57.0 mt -92.41 92.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.04 0.447 . . . . 0.0 110.21 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -103.57 115.73 31.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.518 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.674 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.3 mt -118.3 126.41 75.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.25 -176.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 6.3 m -115.66 96.59 5.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.697 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.797 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 14.5 p90 -92.41 130.36 38.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.266 0.555 . . . . 0.0 110.637 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.95 126.72 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.766 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -132.97 156.22 47.7 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.773 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -118.03 99.05 6.65 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 171.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.45 -116.13 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.446 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.683 ' HA ' ' HB2' ' A' ' 115' ' ' MET . 32.4 t70 -99.55 -2.09 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -98.33 101.97 13.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.692 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.34 115.95 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.55 -31.77 13.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 13.7 ptpt -160.58 164.13 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.797 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 25.7 tt0 -144.34 112.14 6.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.222 -171.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -85.69 100.42 11.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 m -110.55 104.45 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -110.17 108.12 18.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.936 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.484 HG23 HG12 ' A' ' 19' ' ' ILE . 65.4 m -92.75 115.4 28.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.1 ttmt -96.92 110.06 22.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG13 HG22 ' A' ' 17' ' ' THR . 4.6 mp -95.52 120.38 44.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.343 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 29.8 mm-40 -73.16 147.65 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -62.46 -29.64 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.956 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.27 -13.29 59.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.405 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -85.94 -37.12 19.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.219 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 tt -90.86 -29.31 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.802 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.85 34.26 11.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.688 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.56 172.01 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.359 . . . . 0.0 110.602 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -119.14 -53.31 2.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -118.03 176.29 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.269 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -67.79 -23.45 65.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.913 0.387 . . . . 0.0 110.008 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.2 mm-40 -67.84 -59.25 3.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.801 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.51 -16.0 61.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.07 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.216 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.15 86.52 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.619 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 64.0 mttm -66.36 -8.27 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.729 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -98.18 -34.36 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.654 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.58 -25.48 24.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.019 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -48.28 -54.39 25.89 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.473 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.08 -19.03 51.77 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.017 1.811 . . . . 0.0 112.861 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.32 -48.78 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 m -64.09 -29.36 70.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.361 0.6 . . . . 0.0 110.242 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -69.21 2.24 3.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.159 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.733 ' HB3' HG12 ' A' ' 99' ' ' ILE . 67.5 mttm -75.55 -31.0 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.044 -0.41 . . . . 0.0 110.631 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.634 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.7 m-85 -75.32 -56.74 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 31.6 mtmt 65.16 -93.07 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.742 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -149.38 40.14 0.84 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.276 0.56 . . . . 0.0 109.835 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 63' ' ' TYR . 68.0 mt -53.49 -42.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.629 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -168.8 -145.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.055 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.48 45.36 2.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.874 171.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.631 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.1 m -93.91 111.37 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.316 0.579 . . . . 0.0 110.327 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.01 109.53 21.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.911 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.04 97.82 10.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.072 0.939 . . . . 0.0 109.621 175.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 66.3 mttm -101.8 104.85 15.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.861 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.95 106.19 16.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.478 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 2.5 p -106.69 125.97 51.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -112.54 117.06 31.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.012 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -85.82 -65.92 0.96 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.437 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 t70 178.09 -53.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.43 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.3 m -93.01 -11.84 32.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.381 0.61 . . . . 0.0 111.259 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -152.6 161.79 42.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 111.343 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.42 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.053 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 41.7 mt-30 -104.6 111.67 24.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.77 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.22 90.36 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.457 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 49.5 t-20 -82.88 101.02 10.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.77 105.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.413 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.6 m -93.61 103.31 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HA ' HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.06 141.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -175.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.632 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 13.7 t70 -110.97 127.54 55.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.74 -3.03 59.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.501 -171.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.59 -45.9 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.98 0.419 . . . . 0.0 111.008 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -102.27 1.32 35.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 5.8 p -71.88 156.86 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.132 0.491 . . . . 0.0 111.041 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 24.9 t70 -123.24 117.86 26.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.39 -19.53 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.933 0.396 . . . . 0.0 111.055 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.634 ' HZ2' ' HB3' ' A' ' 94' ' ' LYS . 6.1 ttpm? -65.02 -36.28 83.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.779 173.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.37 -24.32 59.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 99' ' ' ILE . 71.6 mt -83.58 0.53 46.29 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.415 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -52.66 -51.92 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.023 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.11 17.68 58.84 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.733 HG12 ' HB3' ' A' ' 62' ' ' LYS . 54.9 mt . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.493 . . . . 0.0 110.903 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.641 ' OD2' ' HB3' ' A' ' 117' ' ' GLN . 11.0 t70 . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.11 -33.34 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.877 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.69 -33.98 71.49 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -99.19 -22.79 15.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 133.44 132.53 3.27 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.293 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.54 109.76 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.9 p -114.3 -179.47 3.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.812 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.683 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -66.61 -41.64 88.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.104 -177.361 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.87 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.452 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.641 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -57.35 -63.59 1.17 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.381 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 122' ' ' MET . 29.8 tpp -47.06 -45.99 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.623 0.577 . . . . 0.0 112.368 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 20.3 mm-40 -62.36 -62.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.33 . . . . 0.0 111.768 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.38 -34.31 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.185 0.517 . . . . 0.0 111.231 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.581 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.1 t -76.59 -41.53 34.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.162 -175.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.543 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.76 -33.64 71.0 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.988 -0.445 . . . . 0.0 111.212 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 13.5 mptt -73.51 -25.06 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.103 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 121' ' ' VAL . . . -67.77 -48.03 67.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.377 175.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.85 76.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.152 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 106.33 33.41 3.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.835 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.543 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 25.4 m-85 -92.03 128.01 37.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -102.31 139.24 38.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.353 . . . . 0.0 110.25 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 51.3 mt-10 -82.23 148.69 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.381 0.61 . . . . 0.0 112.027 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.5 t -93.99 -24.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.463 0.221 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.349 176.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 mp0 -102.92 130.79 50.1 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.325 -171.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -121.46 116.92 25.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.009 0.433 . . . . 0.0 111.011 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -114.45 101.51 9.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.051 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -99.31 113.12 25.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.601 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 5.2 p90 -112.84 161.22 17.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.55 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 32.1 t -155.65 124.81 6.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.046 0.45 . . . . 0.0 110.39 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.79 141.83 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.908 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 15.1 t-20 -98.7 98.29 9.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 14' ' ' LEU . 3.1 pp -133.75 142.5 47.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.523 -176.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 t30 63.76 16.97 10.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.578 0.704 . . . . 0.0 110.074 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.22 5.04 89.34 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.271 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.509 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.7 p -114.06 138.31 50.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.747 0.308 . . . . 0.0 111.296 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.527 ' OE2' ' HD2' ' A' ' 38' ' ' LYS . 4.8 mt-10 -93.44 97.59 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.516 HG12 HG21 ' A' ' 37' ' ' THR . 23.1 mt -93.32 106.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 121.144 0.497 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -114.63 110.77 20.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.003 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.68 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 65.0 mt -108.55 124.96 65.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.153 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -101.19 101.72 12.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.861 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -82.07 109.64 16.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 50.8 t -93.71 104.49 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 38.3 p90 -124.34 164.22 20.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.5 115.71 12.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.759 175.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.53 -115.91 5.23 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 110.622 -172.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -113.67 7.55 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.527 0.679 . . . . 0.0 109.363 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -98.29 107.94 20.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.312 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 20.1 t -76.9 113.61 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.0 -39.33 11.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.328 -172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 67.4 mttm -132.18 122.97 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.029 0.443 . . . . 0.0 110.799 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -107.55 96.05 6.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.473 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 50.9 m -85.52 97.76 10.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 109.874 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.535 ' HA ' HG12 ' A' ' 21' ' ' ILE . 16.6 m -97.38 100.32 11.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.048 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.9 mt-10 -98.74 108.67 21.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.198 0.523 . . . . 0.0 110.323 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.516 HG21 HG12 ' A' ' 19' ' ' ILE . 24.2 m -99.38 104.72 16.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.618 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HD2' ' OE2' ' A' ' 18' ' ' GLU . 33.4 ttmt -87.29 106.02 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -104.55 110.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.001 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.16 151.92 46.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.966 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -66.42 -29.84 70.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -20.03 61.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -88.79 -33.97 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 tt -84.66 -31.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.9 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.54 37.77 7.94 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.2 160.79 14.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.752 0.31 . . . . 0.0 111.212 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 m -97.2 -67.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -121.63 -178.36 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.128 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -69.55 -32.08 70.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.185 -175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.2 mp0 -67.97 -44.03 77.63 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.96 -41.65 87.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.66 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.23 87.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.281 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.66 -45.53 93.62 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.85 -12.33 24.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.458 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.7 m -99.03 -45.71 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.343 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 86.5 mt -86.13 -21.49 27.56 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.537 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 36.0 mt-10 -60.6 -52.72 70.69 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.332 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 50.0 Cg_exo -51.18 -33.53 44.64 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.598 2.199 . . . . 0.0 112.612 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 37.6 tp -65.12 -61.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.099 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m -64.06 -20.93 66.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.932 0.396 . . . . 0.0 111.172 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -1.86 7.17 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.115 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -59.12 -44.04 92.0 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.645 0.259 . . . . 0.0 110.785 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.55 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.2 m-85 -64.19 -51.71 62.45 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.257 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttp 70.57 -80.43 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.601 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -157.23 44.04 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.9 mt -56.2 -42.37 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.436 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 90' ' ' LYS . . . -167.36 -147.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.828 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.9 53.42 2.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.719 HG12 ' HA ' ' A' ' 86' ' ' ILE . 22.5 m -98.4 122.55 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.133 0.492 . . . . 0.0 109.92 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' HG2' ' HB ' ' A' ' 85' ' ' THR . 14.6 pt-20 -116.84 116.19 26.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.563 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.84 99.18 9.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.987 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -101.58 106.99 18.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 86.9 mt -87.07 114.42 23.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.97 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 46.6 p -101.27 118.77 37.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 97.7 m-85 -110.94 102.06 10.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 m -77.19 -66.75 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 177.06 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 p -90.14 -15.23 31.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.088 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -150.61 158.1 43.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.207 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.14 127.9 45.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.563 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.519 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 51.7 tt0 -113.32 124.33 52.23 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.329 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 32.3 mt-10 -84.04 92.66 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -80.37 89.99 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' GLU . 36.9 t -102.89 140.14 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.218 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 64.7 m -130.28 105.45 7.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.931 0.396 . . . . 0.0 110.054 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.719 ' HA ' HG12 ' A' ' 69' ' ' VAL . 55.9 mt -95.25 111.66 26.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.251 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.531 ' OD2' ' HG3' ' A' ' 90' ' ' LYS . 20.4 t70 -82.35 117.73 22.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.419 ' SD ' HG13 ' A' ' 91' ' ' VAL . 24.6 mmt -87.35 -2.91 58.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.729 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.22 -19.16 36.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.184 0.516 . . . . 0.0 109.785 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.531 ' HG3' ' OD2' ' A' ' 87' ' ' ASP . 14.7 mtpp -127.64 -1.44 6.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.253 -175.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.498 ' HA ' ' HB1' ' A' ' 67' ' ' ALA . 9.5 p -72.08 134.41 29.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.729 0.776 . . . . 0.0 111.414 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 13.6 t70 -91.28 118.89 30.87 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.295 176.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 95.3 m-85 -82.0 -6.48 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.841 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 61.5 tttp -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.78 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.095 172.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 52.7 mt -73.24 1.0 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.244 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.778 ' HA ' ' HE3' ' A' ' 110' ' ' LYS . 8.8 tt0 -66.96 -27.51 67.52 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 171.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -115.67 -8.8 13.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.617 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.693 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.883 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.924 0.392 . . . . 0.0 110.567 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.42 -4.31 59.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.229 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.778 ' HE3' ' HA ' ' A' ' 97' ' ' GLN . 47.1 mmtm -93.05 -41.75 9.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.446 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.883 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 60.1 pttt -71.04 -33.91 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.894 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.73 141.14 4.22 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.452 HG21 ' SD ' ' A' ' 118' ' ' MET . 31.1 mm -103.99 120.21 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.499 . . . . 0.0 111.518 -176.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -128.22 -177.52 4.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.514 ' HE3' ' HG2' ' A' ' 119' ' ' GLU . 12.4 tpt -77.51 -22.23 51.51 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.151 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.19 60.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.21 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.94 -66.33 0.44 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.746 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.592 ' O ' ' HG2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -44.54 -51.59 8.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -176.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.514 ' HG2' ' HE3' ' A' ' 115' ' ' MET . 10.3 mm-40 -56.87 -54.92 40.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.555 0.616 . . . . 0.0 111.766 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 120' ' ' LEU . 2.7 tm? -69.16 -33.33 73.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.45 0.643 . . . . 0.0 110.46 -175.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -76.98 -38.48 28.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.679 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 118' ' ' MET . 33.0 mmt -63.29 -42.07 99.05 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.72 -43.7 98.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.748 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.35 85.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.393 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.06 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.384 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.6 31.42 7.47 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.172 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.406 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 23.4 m-85 -83.18 139.81 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 128' ' ' LYS . 16.0 ptpt -102.02 133.82 46.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -85.16 135.58 33.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.262 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.38 -41.76 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.762 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.636 ' HZ1' ' HB2' ' A' ' 131' ' ' LYS . 10.6 mtmp? . . . . . 0 C--O 1.234 0.284 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.966 -175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG3' ' HD2' ' A' ' 26' ' ' LYS . 6.7 mp0 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -97.8 162.59 13.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.324 -171.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 t -129.88 126.5 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.23 0.538 . . . . 0.0 111.359 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HG3' ' HE2' ' A' ' 115' ' ' MET . 5.4 mmmm -113.17 131.89 55.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.142 172.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -126.3 122.66 36.09 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.148 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.7 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 2.7 p90 -126.01 162.07 26.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 9.9 t -152.88 116.02 4.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.172 0.511 . . . . 0.0 109.827 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.02 109.46 20.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.809 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -89.63 87.82 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.564 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 pp -114.36 132.33 56.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.67 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 73.65 -32.0 0.23 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.716 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 147.75 -11.88 1.29 Allowed Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -97.67 133.91 41.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.599 0.237 . . . . 0.0 110.732 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 29.5 mt-10 -88.57 109.6 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' SER . 47.7 mt -90.93 96.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.5 102.18 11.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.728 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 51.9 mt -101.51 101.62 12.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.294 0.569 . . . . 0.0 109.992 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -94.67 94.28 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.973 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 19.5 p90 -100.78 131.7 46.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.607 0.718 . . . . 0.0 111.583 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.4 123.32 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.903 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CE1' ' HG2' ' A' ' 8' ' ' LYS . 27.5 p90 -126.12 158.9 34.31 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.069 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 70.6 tttt -141.79 115.23 8.95 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.18 -134.52 29.19 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -169.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -103.8 68.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.546 0.673 . . . . 0.0 109.462 173.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -167.17 122.73 1.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.098 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 15.4 t -89.99 120.53 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -102.25 -21.98 14.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.626 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -140.66 120.1 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.746 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.522 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 51.9 tt0 -107.65 100.02 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.419 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.5 m -88.88 96.3 10.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.897 0.38 . . . . 0.0 110.419 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.492 ' HA ' HG12 ' A' ' 21' ' ' ILE . 14.3 m -97.14 101.75 13.38 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 2.7 mt-10 -110.98 112.04 23.58 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.611 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 20.5 p -95.47 106.05 18.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.219 0.533 . . . . 0.0 111.135 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 29.4 ttmt -87.48 93.0 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.915 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.559 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 31.6 mt -91.75 127.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 42' ' ' ALA . 30.9 mm-40 -80.4 150.98 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.26 25.3 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.745 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 40' ' ' GLN . . . -126.54 -4.86 6.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.125 0.488 . . . . 0.0 110.097 174.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -118.54 -18.46 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.559 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 8.1 tt -87.61 -38.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.076 -174.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.8 35.36 5.4 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -172.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.38 126.61 50.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.612 -0.294 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.62 HG23 HG22 ' A' ' 48' ' ' THR . 12.3 t -100.81 -15.06 17.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.203 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.62 HG22 HG23 ' A' ' 47' ' ' THR . 61.5 p -138.6 172.27 13.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -39.74 89.11 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.534 0.683 . . . . 0.0 109.487 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.9 -35.92 64.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.036 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 4.9 m-20 -62.41 -40.58 96.98 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.176 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.84 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -64.71 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.897 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 7.7 ttpm? -57.48 -24.05 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.995 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 61.4 m -93.12 -45.99 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.546 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.66 ' HB2' ' HH ' ' A' ' 75' ' ' TYR . 69.7 mt -81.97 -30.5 31.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 56.0 mt-10 -57.15 -53.72 62.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.396 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 30.2 Cg_endo -64.83 -22.55 63.37 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.863 1.709 . . . . 0.0 112.669 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD12 HD22 ' A' ' 56' ' ' LEU . 68.9 mt -74.65 -53.77 8.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.728 0.299 . . . . 0.0 110.497 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -64.64 -31.16 72.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.476 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -7.74 34.36 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.09 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.513 ' HE2' HD23 ' A' ' 59' ' ' LEU . 68.9 mttm -69.84 -26.15 64.09 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -71.43 -55.14 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm 66.47 39.78 3.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.26 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m120 57.72 57.98 3.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.746 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 92' ' ' ASP . 67.8 mt -53.26 -72.63 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.547 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 90' ' ' LYS . . . -156.42 102.69 2.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.1 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.73 53.9 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.443 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' ' 86' ' ' ILE . 16.4 m -85.39 118.97 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.751 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 42.5 mt-10 -93.54 92.7 7.7 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.774 175.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.64 94.03 9.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.87 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.751 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 65.6 mttm -115.08 123.6 49.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.831 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.93 111.77 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 42.5 p -101.77 113.67 27.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 0.0 110.447 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.66 ' HH ' ' HB2' ' A' ' 56' ' ' LEU . 94.6 m-85 -108.64 103.51 12.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 5.1 m -79.43 -72.52 0.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' THR . 23.0 t70 174.0 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.595 175.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m -90.1 -13.24 36.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -154.1 153.8 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.45 126.15 38.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.318 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.525 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 42.6 tt0 -110.9 115.2 29.1 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.018 0.437 . . . . 0.0 110.632 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.611 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 44.4 tt0 -85.24 93.58 8.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -86.61 101.83 13.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.63 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 82' ' ' GLU . 28.7 t -113.64 104.6 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.106 0.479 . . . . 0.0 111.213 -176.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.608 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.9 m -98.26 105.44 17.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.634 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.729 ' HA ' HG12 ' A' ' 69' ' ' VAL . 5.2 mp -92.75 125.64 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.646 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 91' ' ' VAL . 18.2 t70 -84.94 115.9 23.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 33.0 mtp -94.04 14.86 18.51 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.87 -169.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -102.17 -5.1 24.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.968 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 15.8 ttmm -139.28 2.01 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.507 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.8 129.44 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.604 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.431 ' HB3' HG21 ' A' ' 66' ' ' ILE . 24.6 t70 -98.32 98.12 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.92 170.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -71.45 -12.42 61.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.916 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.62 -47.19 86.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.328 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.78 -46.25 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.744 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.55 -23.98 65.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.854 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.09 -27.22 31.7 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.104 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 117.09 0.445 . . . . 0.0 111.37 -173.348 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.931 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 5.5 t70 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 121.009 0.433 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.513 ' HA ' HD13 ' A' ' 113' ' ' ILE . . . -57.16 -39.91 76.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HZ1' ' HB2' ' A' ' 110' ' ' LYS . 10.5 mtmp? -82.94 4.08 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.931 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 61.1 mttm -78.01 -34.39 50.75 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.588 0.709 . . . . 0.0 109.323 171.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.61 94.99 2.38 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -166.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 109' ' ' ALA . 43.5 mm -63.07 127.1 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.688 0.756 . . . . 0.0 112.073 -168.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.8 p -107.28 -173.64 2.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.684 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.548 ' HE2' ' HG3' ' A' ' 8' ' ' LYS . 15.4 tpt -74.32 -43.83 55.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.51 -45.07 85.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.469 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.59 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 36.1 mt-30 -59.47 -59.12 5.95 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.516 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -46.99 -50.21 19.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.441 0.463 . . . . 0.0 112.173 -178.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.52 -57.99 10.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 111.69 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.07 -36.99 80.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 111.422 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -75.4 -39.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.97 -174.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.6 -38.11 73.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.854 0.359 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.6 -12.32 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.936 0.398 . . . . 0.0 110.236 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.8 -27.99 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.957 171.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.15 59.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.928 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.3 16.59 60.36 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.968 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -90.99 154.7 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 13.3 ptmm? -118.24 143.28 46.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.781 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 23.5 mt-10 -73.81 147.61 43.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.681 177.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.18 -17.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp . . . . . 0 C--O 1.234 0.24 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.151 -179.212 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 39.0 mt-10 -99.39 140.77 33.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.299 -164.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.65 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 36.5 m -102.74 142.3 34.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.287 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' THR . 84.5 tttt -144.43 132.56 21.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.843 177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 9.3 tppt? -108.61 128.84 55.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.467 . . . . 0.0 111.274 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.645 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 1.5 p90 -127.34 147.35 50.25 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 165.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 23.2 t -142.86 106.39 4.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.764 0.316 . . . . 0.0 110.223 -174.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.02 46.66 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -93.21 96.02 9.74 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.14 96.21 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.278 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 70.96 -54.28 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.952 0.901 . . . . 0.0 111.544 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA3' ' OG ' ' A' ' 43' ' ' SER . . . -169.43 26.62 0.12 Allowed Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.423 HG21 HG13 ' A' ' 39' ' ' ILE . 3.6 m -122.86 99.5 6.42 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 3.5 mt-10 -83.04 92.98 7.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.0 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.513 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -91.38 108.66 20.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.749 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 106.27 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.494 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -110.58 128.62 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.157 0.503 . . . . 0.0 111.034 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 4.1 m -112.12 116.98 31.37 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.834 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' A' ' 7' ' ' SER . 18.3 m-85 -81.29 147.05 30.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 49.6 t -119.88 95.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 163.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.518 ' HB3' HG23 ' A' ' 30' ' ' VAL . 51.2 p90 -109.68 138.68 45.69 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.966 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -113.6 99.22 7.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.369 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.35 -116.05 4.82 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -172.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -111.61 30.68 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.593 0.711 . . . . 0.0 109.697 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -127.0 110.33 12.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.238 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 25' ' ' TYR . 15.3 t -80.16 95.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 89.7 mt -91.24 -9.08 46.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.548 -170.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 38.8 mttp -151.87 136.39 16.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.68 0.276 . . . . 0.0 110.433 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.673 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 8.7 tt0 -125.83 119.7 28.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -102.33 99.04 9.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.037 0.446 . . . . 0.0 110.242 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -103.47 117.14 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.702 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 41.9 mt-10 -115.27 107.02 14.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.188 0.518 . . . . 0.0 110.181 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.513 HG23 HG12 ' A' ' 19' ' ' ILE . 30.9 m -90.19 112.41 23.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.983 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 39.2 tttm -99.9 97.76 8.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.215 0.531 . . . . 0.0 110.281 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.423 HG13 HG21 ' A' ' 17' ' ' THR . 4.0 mp -93.34 128.24 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.502 -176.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.88 133.34 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 49' ' ' LYS . 10.5 m-30 -61.57 -33.36 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -174.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.39 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.509 ' OG ' ' HA3' ' A' ' 16' ' ' GLY . 11.4 m -91.3 -43.5 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.554 HG23 ' HA ' ' A' ' 41' ' ' PHE . 9.7 tt -70.88 -26.37 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.23 24.25 17.22 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.939 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.79 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.866 0.365 . . . . 0.0 110.532 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.9 m -82.76 -47.26 12.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.203 0.525 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -107.19 155.99 19.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.602 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.7 ttpm? -52.57 -44.23 65.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.486 . . . . 0.0 110.817 174.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.79 -28.38 67.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.408 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.82 -30.21 63.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.937 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.54 -35.4 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.519 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.57 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -57.57 -18.87 21.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.512 ' O ' HD12 ' A' ' 59' ' ' LEU . 20.8 m -98.35 -42.94 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.3 mt -79.72 -36.24 37.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.549 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 56.3 mm-40 -51.93 -53.66 49.0 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 46.0 Cg_exo -52.83 -37.95 77.53 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.355 2.037 . . . . 0.0 113.559 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 55' ' ' THR . 8.7 mp -69.68 -53.87 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -170.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -65.11 -29.52 70.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.756 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.29 -0.31 3.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.797 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.654 ' HB3' HG12 ' A' ' 99' ' ' ILE . 94.1 mttt -87.25 0.58 55.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 175.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.448 ' O ' HG13 ' A' ' 66' ' ' ILE . 45.7 m-85 -112.52 -17.87 12.55 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.615 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 1.4 pptp? -51.81 115.07 1.48 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.522 0.677 . . . . 0.0 112.612 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.6 m120 65.68 30.78 10.18 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.587 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 62' ' ' LYS . 39.5 mt -73.4 -33.28 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.864 0.84 . . . . 0.0 109.508 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.86 -149.08 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.436 -1.256 . . . . 0.0 108.0 -175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.39 54.05 2.35 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.337 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' ' 86' ' ' ILE . 3.7 m -110.21 124.92 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.178 0.513 . . . . 0.0 110.874 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.41 116.12 27.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -93.11 125.03 37.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 83' ' ' ASN . 66.0 mttp -130.73 96.19 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.87 0.367 . . . . 0.0 110.502 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 74.3 mt -83.53 105.92 14.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.277 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.5 p -106.64 109.98 22.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.42 0.628 . . . . 0.0 110.807 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 62.6 m-85 -99.15 134.99 41.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.0 p -101.83 -77.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.048 0.451 . . . . 0.0 110.726 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -174.16 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.217 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m -109.89 -23.9 11.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -143.91 166.48 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.8 140.46 44.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' THR . 23.7 mt-30 -117.27 122.74 44.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.916 0.389 . . . . 0.0 111.487 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 31.2 mt-10 -84.9 90.47 7.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 169.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 13.7 m120 -78.82 94.17 5.12 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 t -111.52 128.85 67.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.166 0.508 . . . . 0.0 111.409 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.688 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.5 m -110.88 111.4 22.52 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.796 ' HA ' HG11 ' A' ' 69' ' ' VAL . 72.5 mt -110.29 107.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.8 t70 -69.34 126.94 31.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.673 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 78.8 mtp -107.12 17.18 23.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 31' ' ' LEU . 45.4 mt-10 -94.93 -34.87 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -115.07 22.36 13.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.45 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -52.38 110.27 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 121.105 0.479 . . . . 0.0 111.168 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.8 89.25 5.8 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 70.5 m-85 -65.68 -15.81 63.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -66.01 -48.09 72.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.541 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.5 49.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.716 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 33.0 mt -60.41 -19.18 55.18 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.44 -21.94 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.834 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.43 -2.68 63.49 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.654 HG12 ' HB3' ' A' ' 62' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.756 0.278 . . . . 0.0 110.365 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 113' ' ' ILE . . . -59.65 -52.57 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.848 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -85.11 4.22 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -97.16 -32.22 12.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.22 115.61 1.68 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 109' ' ' ALA . 27.1 mm -85.31 137.31 21.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.364 0.602 . . . . 0.0 111.587 -174.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.6 p -127.14 -172.44 2.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.729 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.78 -47.51 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.13 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -54.94 -71.81 0.08 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.696 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.703 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -55.94 -30.67 62.04 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -59.07 -62.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.474 . . . . 0.0 110.53 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.08 -41.36 98.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.628 0.728 . . . . 0.0 111.5 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.7 t -79.38 -48.13 21.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 114.674 -1.148 . . . . 0.0 112.354 -169.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.703 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -72.18 -33.52 67.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 0.0 111.079 -179.106 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.18 -21.23 54.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.442 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.5 70.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 110.409 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.18 -15.35 62.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.836 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.22 37.04 25.8 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.167 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.421 ' CD2' ' HG3' ' A' ' 122' ' ' MET . 22.7 m-85 -78.73 161.87 26.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.396 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.614 ' HB3' ' O ' ' A' ' 11' ' ' SER . 87.8 tttt -91.92 101.0 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.162 0.506 . . . . 0.0 109.845 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.424 ' OE1' ' HD2' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -85.83 126.54 34.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.176 -174.359 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 131' ' ' LYS . 42.9 t -117.85 -20.7 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.424 ' HD2' ' OE1' ' A' ' 129' ' ' GLU . 13.7 mptt . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -165.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.149 0.499 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 66.4 mt-10 -97.69 137.27 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -95.45 111.69 23.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -114.1 115.53 27.69 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 37.0 ttpt -107.23 147.35 30.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 3.8 p90 -126.62 144.47 50.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 164.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -137.83 106.55 5.9 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.027 0.442 . . . . 0.0 110.396 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.33 122.97 41.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' OD1' ' HG2' ' A' ' 18' ' ' GLU . 5.4 t30 -80.94 93.91 6.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.35 84.28 7.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.824 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 62.52 8.27 2.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.862 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.61 -44.64 0.62 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.909 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.494 HG23 HG12 ' A' ' 39' ' ' ILE . 1.9 p -82.28 118.88 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.933 0.396 . . . . 0.0 110.842 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.6 mt-10 -86.41 96.06 9.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.329 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -93.03 110.29 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.263 0.554 . . . . 0.0 110.992 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.93 108.91 19.34 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.35 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 43.8 mt -112.85 113.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.089 -177.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 7.8 m -104.93 108.53 20.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.683 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.501 ' HE2' ' HE1' ' A' ' 115' ' ' MET . 6.7 p90 -106.0 120.51 41.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.415 0.626 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 93.1 t -91.48 121.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.501 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 28.2 p90 -119.31 154.47 33.46 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.459 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HZ1' ' HB2' ' A' ' 26' ' ' LYS . 4.0 ttmp? -123.42 94.96 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.08 -116.2 4.22 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.995 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.52 -12.31 29.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.796 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HD2' HD23 ' A' ' 31' ' ' LEU . 16.6 ttmm -112.67 121.77 45.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -170.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.6 t -76.16 133.22 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.515 HD23 ' HD2' ' A' ' 29' ' ' LYS . 94.7 mt -121.41 -3.2 9.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.27 117.19 0.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.911 0.386 . . . . 0.0 111.23 177.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -111.41 103.97 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -90.02 100.71 13.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.27 0.557 . . . . 0.0 110.363 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 21' ' ' ILE . 6.1 m -105.08 113.08 26.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.222 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.6 tt0 -114.38 111.15 21.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.235 0.54 . . . . 0.0 110.266 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 19.6 m -89.48 108.46 19.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.029 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.3 tttm -87.15 108.38 18.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.476 0.655 . . . . 0.0 109.863 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.494 HG12 HG23 ' A' ' 17' ' ' THR . 45.1 mt -107.9 133.49 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.453 -173.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.55 139.65 30.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.033 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.97 -31.8 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.34 63.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.406 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -88.77 -43.13 11.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 0.0 110.393 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 tt -79.05 -18.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.973 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.16 38.01 16.59 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.407 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.56 116.24 31.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.32 . . . . 0.0 110.339 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 -14.04 51.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.765 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -151.57 176.42 11.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.089 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.91 -35.58 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.12 -43.35 95.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.967 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.519 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 1.1 m-20 -60.37 -37.0 79.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.82 -53.53 17.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -62.07 -46.4 89.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.064 -176.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 63.5 pttt -59.8 -19.24 49.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.785 0.326 . . . . 0.0 111.285 -176.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.425 ' O ' HD11 ' A' ' 59' ' ' LEU . 16.6 m -99.13 -41.75 7.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.341 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.09 -31.53 23.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 47.7 mt-10 -60.3 -50.86 83.92 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 26.2 Cg_endo -64.2 -14.2 42.39 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.852 1.702 . . . . 0.0 112.51 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 55' ' ' THR . 6.9 mp -84.88 -50.75 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.713 0.292 . . . . 0.0 110.326 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 p -70.12 -16.06 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.08 62.38 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -75.04 -4.94 41.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -114.24 22.41 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -105.88 -5.54 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -133.89 11.85 3.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.6 HG22 ' HG ' ' A' ' 96' ' ' LEU . 37.2 mt -92.7 -90.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.048 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.48 -146.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.357 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.88 52.91 2.5 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.715 HG13 ' HA ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -92.94 112.97 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.447 0.642 . . . . 0.0 110.902 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 49.2 mt-10 -96.62 148.49 22.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.607 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.36 151.95 50.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 111.256 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 21.2 mtpp -144.26 100.03 3.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.83 99.72 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.72 108.82 17.62 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 -174.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -114.27 120.03 39.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.092 0.472 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.7 m -69.2 -58.44 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 179.07 -48.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.03 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -95.79 -19.22 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.182 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -146.71 158.03 43.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.864 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.87 136.64 54.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.572 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -104.98 112.25 25.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 40.4 tt0 -91.63 82.48 5.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 26.0 t-20 -83.03 106.83 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.57 109.69 29.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 111.086 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 92.3 m -95.81 102.77 14.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.13 0.491 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.715 ' HA ' HG13 ' A' ' 69' ' ' VAL . 64.9 mt -94.93 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.567 ' O ' HG11 ' A' ' 91' ' ' VAL . 14.2 t70 -74.6 122.12 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.095 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.451 ' HA ' HG11 ' A' ' 91' ' ' VAL . 58.8 mtt -98.82 16.17 23.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.495 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.7 mt-10 -98.89 -19.89 17.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 0.0 110.251 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -131.19 26.87 4.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.181 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -57.16 139.8 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.444 0.64 . . . . 0.0 112.702 -178.093 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -110.56 98.98 8.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.137 171.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 88.1 m-85 -76.53 -1.42 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 110.606 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -70.0 -51.41 32.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.841 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 66' ' ' ILE . . . -70.74 -43.61 68.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.143 0.497 . . . . 0.0 110.071 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.6 ' HG ' HG22 ' A' ' 66' ' ' ILE . 24.1 mt -68.36 -9.19 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.35 -44.28 92.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.34 -27.18 10.19 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.593 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.76 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -72.63 -19.14 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.318 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -89.38 -52.51 5.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.521 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 152.14 119.72 0.83 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.083 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.2 mm -83.45 124.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 111.397 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -127.2 -176.55 3.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.483 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.855 ' HA ' ' HE2' ' A' ' 115' ' ' MET . 2.6 tpt -65.61 -48.6 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.472 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.2 67.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -58.63 -66.8 0.44 Allowed 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.659 176.009 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.523 ' O ' ' HB2' ' A' ' 122' ' ' MET . 6.2 ttm -54.38 -34.92 62.19 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.521 ' HG2' ' HE3' ' A' ' 115' ' ' MET . 5.6 mm-40 -59.99 -64.01 1.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.022 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.19 -36.16 81.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.489 0.662 . . . . 0.0 111.145 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 6.8 t -75.13 -47.75 34.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.025 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.523 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -71.04 -33.76 70.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.135 -0.353 . . . . 0.0 111.235 -178.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 30.3 mtpp -71.12 -27.69 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 0.0 110.165 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.62 61.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.59 -6.19 58.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.81 29.39 54.85 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.182 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.47 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 17.4 m-85 -83.67 146.57 28.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.52 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -99.76 118.47 36.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.512 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.46 96.63 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.765 0.793 . . . . 0.0 111.353 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.02 104.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.495 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.9 mttp . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.371 -178.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.0 mm-40 -98.32 133.65 42.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.732 -169.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -109.48 117.83 35.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 32.6 mtpt -113.33 110.42 20.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.56 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HB2' HG23 ' A' ' 22' ' ' THR . 21.2 ttmm -106.87 97.76 7.51 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.775 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.673 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 6.4 p90 -94.57 142.35 27.54 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 33.0 t -143.05 123.11 13.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.154 0.502 . . . . 0.0 110.598 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.92 126.12 43.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.447 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -76.52 106.35 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -83.49 -156.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.78 -58.32 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.878 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.14 7.27 4.39 Favored Glycine 0 C--N 1.311 -0.818 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.677 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.468 HG23 HG13 ' A' ' 39' ' ' ILE . 39.0 m -136.58 117.92 14.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 42.6 mt-10 -87.19 117.59 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 175.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 11' ' ' SER . 62.1 mt -100.83 108.18 22.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.908 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -113.27 109.45 18.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.751 175.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.673 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 54.5 mt -108.18 111.17 34.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.805 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.0 m -94.77 96.25 9.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.708 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -104.0 133.1 49.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.693 0.758 . . . . 0.0 111.058 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 74.9 t -104.48 113.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.478 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 45.1 p90 -112.78 154.56 26.03 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.438 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -133.05 90.49 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 -117.16 4.35 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.168 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -11.85 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.369 . . . . 0.0 110.683 175.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.579 ' HD2' HD21 ' A' ' 31' ' ' LEU . 2.3 tmtm? -94.25 112.62 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.032 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 11.3 t -79.65 119.11 28.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' HD2' ' A' ' 29' ' ' LYS . 95.9 mt -100.73 -17.55 16.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -169.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 51.6 tttp -153.35 141.64 20.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.56 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 50.7 tt0 -131.08 148.12 52.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 50.7 m -140.3 99.02 3.56 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.045 0.45 . . . . 0.0 110.069 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.469 ' HA ' HG12 ' A' ' 21' ' ' ILE . 46.5 m -97.49 97.56 9.19 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.484 0.659 . . . . 0.0 109.735 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -99.83 112.74 24.98 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.548 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.628 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 29.9 p -103.35 122.79 45.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.101 0.477 . . . . 0.0 111.367 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 4.1 ttmp? -94.22 99.53 11.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 HG13 HG23 ' A' ' 17' ' ' THR . 4.6 mp -96.75 117.54 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.465 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.38 143.92 46.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.432 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.3 -24.74 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.507 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.79 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -88.0 -23.17 23.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.399 . . . . 0.0 110.551 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.49 HD11 ' HB ' ' A' ' 55' ' ' THR . 3.4 tt -98.11 -27.49 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.784 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.78 30.64 14.53 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.369 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.6 39.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.929 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.7 p -83.73 -29.4 27.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.605 0.716 . . . . 0.0 110.222 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 50' ' ' GLU . 14.4 t -156.12 -174.12 4.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.136 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -64.07 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.629 ' HG2' ' CD ' ' A' ' 54' ' ' LYS . 30.7 tt0 -60.28 -57.48 12.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.568 0.223 . . . . 0.0 110.503 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.51 -36.29 75.8 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.076 0.465 . . . . 0.0 110.329 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.79 76.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.315 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.82 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.688 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.629 ' CD ' ' HG2' ' A' ' 50' ' ' GLU . 36.0 mtpt -49.72 -32.1 12.77 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 44' ' ' ILE . 4.4 m -99.49 -42.97 6.71 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 79.7 mt -89.08 -15.03 34.95 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -171.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 31.9 mm-40 -62.56 -55.56 37.98 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 122.204 -0.31 . . . . 0.0 110.726 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 53.0 Cg_exo -54.92 -28.02 56.85 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 122.079 1.853 . . . . 0.0 112.321 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 28.7 tp -66.14 -58.34 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.596 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.477 ' HG ' HD11 ' A' ' 73' ' ' LEU . 17.8 p -78.2 -17.37 56.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.502 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.2 2.58 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.919 ' HB3' HD13 ' A' ' 99' ' ' ILE . 61.7 mttp -78.6 -25.76 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.57 0.224 . . . . 0.0 110.712 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -96.87 22.18 8.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.49 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.69 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -174.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t30 47.11 64.14 1.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.593 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 62' ' ' LYS . 28.9 mt -85.7 -28.6 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.084 0.945 . . . . 0.0 108.635 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.62 -146.7 0.09 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.985 -1.462 . . . . 0.0 107.998 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.27 45.85 2.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.402 172.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 86' ' ' ILE . 4.3 m -104.82 127.11 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 121.014 0.435 . . . . 0.0 110.967 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.45 110.27 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.474 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 93.92 9.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 174.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 19.2 ttmt -111.41 96.29 6.02 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.342 -169.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 60' ' ' SER . 42.4 mt -84.82 106.55 16.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.506 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -101.8 117.61 35.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.153 0.502 . . . . 0.0 110.147 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -84.72 109.91 18.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -82.37 -66.27 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 t70 173.33 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.072 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 m -93.87 -16.01 24.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.357 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 38' ' ' LYS . 48.1 p90 -150.29 170.89 17.93 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.22 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.27 130.59 56.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.645 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.81 108.4 20.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.628 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.5 tt0 -91.53 86.74 6.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.29 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -80.36 95.54 6.41 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 82' ' ' GLU . 46.7 t -98.52 108.21 21.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.944 0.402 . . . . 0.0 111.023 -175.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.733 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 10.4 m -92.04 98.61 11.66 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.86 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.5 mt -93.41 112.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' HB3' HG11 ' A' ' 91' ' ' VAL . 17.6 t70 -68.32 162.85 24.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.469 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.442 ' HE3' ' HB2' ' A' ' 33' ' ' GLN . 42.3 mtt -136.73 18.7 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -115.43 -40.62 3.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -114.28 10.59 17.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.861 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -79.03 179.38 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.077 0.941 . . . . 0.0 113.433 -176.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.59 104.65 5.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.562 170.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -64.79 -25.81 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.555 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.08 -52.81 63.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.128 0.49 . . . . 0.0 109.991 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.84 -27.15 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.274 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 ' HA ' ' HB ' ' A' ' 99' ' ' ILE . 72.7 mt -83.17 -12.41 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.67 -43.99 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.526 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.69 16.18 51.86 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.919 HD13 ' HB3' ' A' ' 62' ' ' LYS . 47.2 mm . . . . . 0 C--N 1.325 -0.497 0 CA-C-O 120.709 0.29 . . . . 0.0 111.385 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.656 0.265 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.23 -45.39 48.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.694 0.283 . . . . 0.0 111.254 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.13 -20.88 33.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.469 . . . . 0.0 110.977 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.77 136.88 9.37 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.167 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.71 120.21 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.232 0.539 . . . . 0.0 111.409 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.62 168.66 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.248 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.9 tpt -69.65 -40.53 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.04 69.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -58.99 -66.0 0.58 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.474 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 20.6 mmt -44.9 -47.08 11.21 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -56.34 -57.24 13.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.536 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.79 -27.66 62.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 111.662 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.8 -42.64 19.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.385 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.534 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -69.31 -37.38 77.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.952 0.405 . . . . 0.0 110.328 176.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -70.54 -27.78 64.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.265 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.456 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.03 1.81 54.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.53 46.01 87.1 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.333 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.534 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 29.0 m-85 -78.0 158.79 29.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.909 0.385 . . . . 0.0 110.393 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -108.48 106.06 15.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.48 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 13.8 mt-10 -91.23 121.26 32.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.402 0.62 . . . . 0.0 112.055 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.29 110.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.622 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 131' ' ' LYS . 36.4 mtpt . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.482 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.384 0.611 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 45.7 mt-10 -97.72 137.45 36.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.493 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 t -97.72 112.14 24.15 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.673 ' HD2' ' HB3' ' A' ' 131' ' ' LYS . 9.9 tptm -113.64 95.18 5.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.761 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.3 ttmm -95.63 123.88 39.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 3.1 p90 -106.69 139.86 40.46 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 29.7 t -136.57 131.23 33.51 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.81 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.95 128.86 33.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.751 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 1.6 m-20 -104.16 99.13 8.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -175.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.5 pp -138.15 140.12 39.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 111.724 -174.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.2 t30 59.53 27.0 16.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.375 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA3' ' HG ' ' A' ' 43' ' ' SER . . . 74.24 13.85 81.06 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.19 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.509 HG21 HG13 ' A' ' 39' ' ' ILE . 11.3 m -118.39 98.62 6.36 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' A' ' 38' ' ' LYS . 5.9 mt-10 -83.46 96.24 8.51 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 11' ' ' SER . 63.7 mt -91.68 125.23 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 -172.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -135.92 102.95 5.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.416 0.627 . . . . 0.0 110.501 174.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 75.9 mt -93.56 114.95 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.813 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.0 m -103.07 100.62 10.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.901 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.727 ' HE2' ' HE2' ' A' ' 115' ' ' MET . 17.6 p90 -106.46 127.94 53.68 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.411 0.624 . . . . 0.0 111.051 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 30.0 t -94.03 118.62 40.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.294 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -127.89 164.58 21.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.269 0.557 . . . . 0.0 111.72 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HE3' HD12 ' A' ' 31' ' ' LEU . 17.0 mtmt -142.55 99.6 3.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.412 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.58 -141.41 20.36 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -86.92 5.85 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.175 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HD2' HD22 ' A' ' 31' ' ' LEU . 5.3 tmtt? -108.46 112.23 24.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.519 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.92 127.03 39.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.613 HD22 ' HD2' ' A' ' 29' ' ' LYS . 84.5 mt -109.85 -33.42 6.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.763 0.316 . . . . 0.0 111.455 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 38.4 mmtm -131.48 147.7 52.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.77 0.319 . . . . 0.0 110.969 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.566 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 64.7 tt0 -136.12 139.54 43.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 m -123.81 111.51 16.19 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 m -97.49 99.61 11.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -115.02 108.44 16.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.367 -172.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.716 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 19.4 p -111.41 136.98 49.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.858 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 77.5 tttt -107.86 99.66 9.1 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.509 HG13 HG21 ' A' ' 17' ' ' THR . 4.8 mp -96.03 120.61 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -73.45 143.57 46.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.015 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -58.81 -32.79 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 111.398 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.98 69.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.261 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.423 ' HG ' ' HA3' ' A' ' 16' ' ' GLY . 38.2 m -79.09 -43.78 23.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.176 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.467 HG22 ' H ' ' A' ' 46' ' ' ALA . 7.2 tt -73.35 -25.71 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.78 24.08 58.8 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.723 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' H ' HG22 ' A' ' 44' ' ' ILE . . . -75.4 147.08 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -84.36 -49.38 8.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.7 p -138.61 -178.44 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.98 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.63 -31.89 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.57 -43.86 68.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.04 0.448 . . . . 0.0 110.064 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 34.0 t70 -64.49 -30.47 71.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.357 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.67 93.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.22 79.48 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.481 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.61 -12.82 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 44' ' ' ILE . 24.6 m -98.75 -43.79 6.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.16 -37.51 26.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 21.3 mt-10 -52.49 -53.8 49.49 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 85.8 Cg_exo -44.77 -31.85 5.51 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.136 2.557 . . . . 0.0 113.681 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.3 -59.97 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.691 0.281 . . . . 0.0 110.948 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m -65.93 -27.49 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.964 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.15 -3.6 24.22 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 99' ' ' ILE . 64.1 mttp -75.28 -14.7 60.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.515 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.5 m-85 -84.26 -29.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.401 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -75.98 34.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -167.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.45 -12.51 4.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.2 171.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.766 HG21 ' H ' ' A' ' 67' ' ' ALA . 2.3 mt -89.54 -168.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.488 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.766 ' H ' HG21 ' A' ' 66' ' ' ILE . . . -98.26 129.61 44.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . 61.39 25.36 64.85 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.389 173.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.624 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.1 m -105.41 136.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.082 0.468 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -134.28 103.35 5.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.286 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -85.26 98.48 10.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.761 0.791 . . . . 0.0 110.77 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -100.11 102.32 13.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.094 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 92.9 mt -95.11 105.5 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.846 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -101.88 109.53 21.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.16 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 98.7 m-85 -103.88 138.58 40.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -119.02 -159.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 170.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.56 -6.93 24.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.581 0.705 . . . . 0.0 109.562 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 m -112.77 -39.67 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.66 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -149.81 168.73 22.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 111.198 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.93 44.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.04 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.482 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 60.8 tt0 -100.77 115.03 29.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.035 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.716 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.0 tt0 -94.43 97.5 10.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -105.85 97.86 7.63 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.451 HG21 ' HG2' ' A' ' 82' ' ' GLU . 57.4 t -108.15 133.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 -173.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 5.5 m -100.04 142.18 31.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 69.4 mt -138.04 126.21 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 21.8 t70 -94.66 106.67 18.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.381 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.523 ' HE1' ' HB2' ' A' ' 33' ' ' GLN . 29.2 mtt -79.8 17.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.387 -176.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -104.34 -19.87 13.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -140.25 -6.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 88' ' ' MET . 10.4 p -58.75 139.57 18.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.31 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -101.38 114.96 29.43 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 97.9 m-85 -75.21 -15.29 60.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.478 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HB3' ' HE3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -74.6 -27.83 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.406 174.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.68 -27.79 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.299 0.571 . . . . 0.0 109.752 172.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 21.4 mt -76.11 1.21 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 174.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 6.3 tp60 -41.09 -44.88 2.58 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.728 0.811 . . . . 0.0 112.167 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.53 19.25 7.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.75 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 62' ' ' LYS . 13.2 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.768 0.794 . . . . 0.0 109.838 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.67 ' HA ' ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.98 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 111.614 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.71 -17.01 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.515 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.66 18.69 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.463 . . . . 0.0 111.431 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.95 121.99 3.96 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.534 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.2 110.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.496 0.665 . . . . 0.0 111.4 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.687 ' HB ' ' OE1' ' A' ' 117' ' ' GLN . 43.2 m -107.89 149.19 28.6 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.727 ' HE2' ' HE2' ' A' ' 23' ' ' TYR . 12.6 tpt -62.17 -30.69 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.578 0.228 . . . . 0.0 111.406 -174.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -53.04 61.09 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.856 0.36 . . . . 0.0 110.115 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.687 ' OE1' ' HB ' ' A' ' 114' ' ' THR . 14.3 mp0 -53.82 -66.91 0.31 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.04 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.425 ' HE3' ' SD ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -40.42 -54.73 2.4 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.606 0.762 . . . . 0.0 112.904 -176.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' HG2' ' HE3' ' A' ' 115' ' ' MET . 51.2 mm-40 -57.58 -57.62 11.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.76 -31.99 72.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.346 0.593 . . . . 0.0 110.993 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 t -75.56 -42.28 41.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.404 -175.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.511 ' HE2' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -62.89 -37.76 88.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.227 0.537 . . . . 0.0 110.234 175.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -74.12 -32.89 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.448 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.227 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.17 -10.75 56.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.265 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.24 43.02 26.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.852 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.95 163.74 21.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -90.63 130.22 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.81 72.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.673 ' HB3' ' HD2' ' A' ' 8' ' ' LYS . 2.4 pptp? . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 109.806 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -97.39 125.02 41.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.371 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -103.37 133.62 48.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -125.44 111.67 15.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.978 0.418 . . . . 0.0 110.604 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HB2' HG21 ' A' ' 22' ' ' THR . 22.9 ttmm -100.19 117.85 35.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.506 178.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.707 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.5 p90 -116.73 152.24 34.72 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.9 t -146.94 118.67 8.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.05 146.06 50.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.02 120.27 39.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.574 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 16' ' ' GLY . 3.8 pp -145.53 142.44 29.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.92 -12.58 0.47 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 111.542 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 115.53 -3.12 21.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -174.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 m -107.56 138.79 43.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.446 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.8 mt-10 -94.27 106.65 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 11' ' ' SER . 53.8 mt -90.86 104.45 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.493 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -109.66 95.02 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.707 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 68.6 mt -93.85 117.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.912 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.482 HG21 ' HB2' ' A' ' 9' ' ' LYS . 5.2 m -106.31 90.24 3.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.467 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -99.51 132.21 45.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.647 . . . . 0.0 111.352 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -98.91 118.31 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.236 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.5 p90 -109.61 134.91 51.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB3' HD13 ' A' ' 31' ' ' LEU . 77.2 tttt -114.53 104.56 12.14 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.74 -116.11 4.18 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.161 -171.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.41 -8.92 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.02 0.438 . . . . 0.0 111.09 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 34.9 ttmt -111.46 135.34 52.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.716 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 4.4 t -78.9 118.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 mt -110.83 -3.6 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 33.6 mttp -155.05 131.98 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.741 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 59.1 tt0 -124.26 103.81 8.45 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.792 0.33 . . . . 0.0 110.837 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -85.6 91.25 8.21 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -97.26 108.64 21.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.718 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 38.8 tt0 -122.38 116.0 23.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.58 -176.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.607 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 47.5 p -97.73 119.43 36.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.329 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 84.5 tttt -83.71 97.4 9.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -100.77 103.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.004 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -65.15 147.14 54.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -60.91 -23.18 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.91 60.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.83 0.347 . . . . 0.0 111.276 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.3 t -87.14 -14.85 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.925 0.393 . . . . 0.0 110.604 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' HB ' ' A' ' 55' ' ' THR . 5.4 tt -111.23 -26.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.62 33.72 11.08 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.58 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.46 120.23 39.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -75.71 -31.61 59.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.214 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -129.67 156.11 44.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.427 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -64.33 -24.67 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.183 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -46.23 89.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.764 172.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 58.3 m-20 -61.34 -38.02 85.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.86 -51.61 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.781 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.7 -43.03 99.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.136 0.493 . . . . 0.0 110.818 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 21.1 ttpt -57.79 -22.22 46.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.984 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 44' ' ' ILE . 13.0 m -98.87 -42.88 6.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.008 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 77.5 mt -90.51 -23.93 20.79 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -168.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 39.0 mt-10 -60.7 -48.45 93.13 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.377 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 40.8 Cg_endo -69.77 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.922 1.748 . . . . 0.0 112.404 173.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 21.3 tp -84.23 -44.76 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 62' ' ' LYS . 77.2 p -76.66 -15.45 59.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.435 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.13 2.26 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.273 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.518 ' HB3' HG21 ' A' ' 99' ' ' ILE . 93.5 mttt -77.23 -27.31 53.33 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.349 -0.22 . . . . 0.0 110.59 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.5 m-85 -84.66 -54.34 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.918 -176.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 56.81 -86.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.07 26.01 5.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -168.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.506 HD11 HD12 ' A' ' 99' ' ' ILE . 46.0 mt -66.55 94.27 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.091 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.15 -86.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.118 0.567 . . . . 0.0 112.33 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.8 44.01 1.0 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG13 ' HA ' ' A' ' 86' ' ' ILE . 12.8 m -82.1 110.86 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 11.8 mm-40 -93.8 108.03 19.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.53 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -94.84 96.48 9.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.377 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -116.84 115.55 25.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.124 0.487 . . . . 0.0 111.484 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 82' ' ' GLU . 63.0 mt -99.99 106.85 18.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.047 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 17.0 p -101.7 109.76 21.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.485 0.66 . . . . 0.0 110.982 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 42.2 m-85 -94.36 108.49 20.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.573 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -81.29 -76.84 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 0.0 111.45 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -145.59 -61.96 0.34 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.096 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -119.9 4.35 10.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 111.053 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -147.78 146.6 29.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.09 54.47 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.203 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.51 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 27.0 mt-30 -101.15 110.26 22.26 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.718 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.4 tt0 -83.8 86.29 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -90.2 96.88 10.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 82' ' ' GLU . 48.6 t -102.85 118.8 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.997 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.616 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 19.3 m -102.14 99.53 9.67 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.669 ' HA ' HG13 ' A' ' 69' ' ' VAL . 61.1 mt -93.53 113.2 27.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.54 108.27 6.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.741 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 76.9 mtp -91.72 3.19 55.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.93 -35.19 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -133.55 37.36 3.31 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.911 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -56.02 130.01 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.946 176.031 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.96 100.59 13.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 75.3 m-85 -73.88 1.26 11.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -89.88 -54.12 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.821 0.343 . . . . 0.0 110.165 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.88 -31.33 66.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.945 0.402 . . . . 0.0 110.596 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.53 -30.99 61.71 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.513 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 81.7 mm-40 -61.9 -37.95 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.212 -177.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.47 -5.45 60.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.767 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 62' ' ' LYS . 92.0 mt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.49 ' OD1' ' HG2' ' A' ' 117' ' ' GLN . 21.6 t0 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.44 -18.87 65.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.35 -11.2 24.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.47 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.79 -56.44 2.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.365 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 150.05 105.41 0.33 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.642 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.67 104.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.193 0.52 . . . . 0.0 111.188 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.4 p -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.939 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -70.05 -37.01 75.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.919 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.09 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.49 ' HG2' ' OD1' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -66.34 -61.87 1.77 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.097 174.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 13.4 mmt -46.3 -39.9 10.83 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.36 -60.58 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.955 0.407 . . . . 0.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.05 -32.45 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 111.577 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.6 t -71.51 -45.56 67.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.629 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -67.47 -36.38 81.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.824 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -67.84 -30.79 70.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.08 -31.81 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.007 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.21 -12.98 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.159 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.33 27.91 34.96 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.061 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.629 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.0 m-85 -83.78 143.88 29.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 0.0 110.381 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.798 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -107.82 128.87 54.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.31 0.576 . . . . 0.0 110.785 -177.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -91.14 127.5 36.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.424 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -84.24 -33.2 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.788 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 28.0 ttmt . . . . . 0 N--CA 1.468 0.45 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.636 171.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.484 ' HG2' ' HE2' ' A' ' 26' ' ' LYS . 43.7 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.545 ' OE2' ' HE3' ' A' ' 8' ' ' LYS . 34.4 tt0 -97.56 139.1 33.97 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.141 -173.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 m -101.6 114.16 27.95 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.936 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HG3' ' HE1' ' A' ' 115' ' ' MET . 19.5 mmtp -112.78 94.44 4.91 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.394 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 22.6 ttmm -88.83 144.3 26.32 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 8.6 p90 -131.66 143.06 50.02 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 168.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.8 p -120.77 106.2 11.46 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.799 -175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.03 110.98 22.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.977 0.418 . . . . 0.0 110.593 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -94.05 89.45 6.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.621 HD12 ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -110.38 105.23 14.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.491 0.663 . . . . 0.0 111.349 -177.684 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.5 57.05 6.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.38 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.643 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 79.8 -15.28 15.42 Favored Glycine 0 CA--C 1.517 0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.856 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.621 ' HB ' HD12 ' A' ' 14' ' ' LEU . 20.7 m -93.55 105.59 17.63 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.358 -0.495 . . . . 0.0 110.363 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 8.6 mt-10 -89.76 96.04 10.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.511 HG12 HG23 ' A' ' 37' ' ' THR . 40.1 mt -91.25 103.63 14.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.33 0.586 . . . . 0.0 109.793 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -108.68 99.58 8.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.048 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.67 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 66.5 mt -98.52 120.22 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.093 0.473 . . . . 0.0 110.47 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 7.0 m -98.73 103.73 15.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.318 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.657 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 41.4 t -96.15 101.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 169.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.9 p90 -114.46 155.6 26.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.843 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 39.6 ttmt -133.87 108.3 8.36 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.768 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.56 -118.52 4.68 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -171.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.31 -8.18 13.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.103 0.452 . . . . 0.0 111.82 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.599 ' HD2' HD23 ' A' ' 31' ' ' LEU . 22.9 ttmt -99.51 133.7 43.46 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.264 177.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 24.3 t -79.75 101.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.599 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.7 mt -80.49 -26.01 38.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.609 -171.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 68.7 mttm -136.47 117.06 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.632 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -108.12 102.06 11.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.627 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 53.2 m -85.29 102.67 13.56 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.522 ' HA ' HG12 ' A' ' 21' ' ' ILE . 22.8 t -97.56 92.77 6.07 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.77 96.33 7.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.783 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.511 HG23 HG12 ' A' ' 19' ' ' ILE . 87.8 m -94.54 107.7 19.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.146 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 81' ' ' GLN . 34.9 ttmt -92.32 103.01 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.944 0.402 . . . . 0.0 110.528 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -100.4 124.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 25.7 mm-40 -73.07 153.15 40.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 175.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -59.59 -30.66 68.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 110.95 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 -25.01 63.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -83.09 -38.78 22.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.946 0.403 . . . . 0.0 110.78 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.496 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.1 tt -85.96 -27.97 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.02 46.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.163 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.496 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -90.87 128.52 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.605 0.24 . . . . 0.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 m -69.12 -44.47 72.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -132.97 -179.34 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.78 -34.11 73.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.5 -49.86 75.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.549 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.85 -36.79 85.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.691 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.08 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.92 -38.67 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -58.48 -25.5 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.7 m -94.02 -41.38 9.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.715 0.293 . . . . 0.0 111.284 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -82.19 -37.31 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -171.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 29.3 mt-10 -56.84 -53.18 67.63 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.765 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.3 Cg_endo -67.62 -16.41 46.76 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.742 1.628 . . . . 0.0 112.463 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.39 -41.74 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.5 m -63.46 -28.25 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.32 0.581 . . . . 0.0 110.016 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.47 -10.45 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.542 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -72.85 -23.83 60.8 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.036 0.446 . . . . 0.0 109.81 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.703 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.4 m-85 -79.65 -57.35 3.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 56.4 tttm 59.07 -93.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.127 174.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.462 ' OD1' ' HG2' ' A' ' 64' ' ' LYS . 21.9 m120 -139.7 39.09 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.344 0.127 . . . . 0.0 111.344 -175.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.703 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.4 mt -57.79 -40.04 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.571 0.7 . . . . 0.0 110.363 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 91' ' ' VAL . . . -168.49 -147.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.426 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.09 43.41 2.23 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.058 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.1 m -82.48 99.05 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.926 0.869 . . . . 0.0 110.564 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 9.6 tp10 -100.1 108.01 20.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.106 -175.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.85 108.04 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.244 0.545 . . . . 0.0 110.891 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 65.5 tttm -108.65 103.52 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.074 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.12 115.42 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.1 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.635 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -107.7 108.99 20.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.42 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 67.8 m-85 -97.57 102.23 13.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 m -88.45 -40.82 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.746 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -174.75 -79.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.962 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 78' ' ' THR . 16.3 m -115.81 19.67 15.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.414 1.102 . . . . 0.0 109.434 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.13 156.56 37.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.629 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.54 124.65 36.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.135 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.635 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 27.0 tt0 -102.44 120.14 40.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.196 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -83.63 94.6 8.13 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -78.56 91.5 4.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.25 130.61 44.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.964 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 4.1 m -112.59 102.97 11.02 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -99.8 109.44 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.767 0.318 . . . . 0.0 110.75 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -86.11 111.67 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.421 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.7 mmt -83.17 3.92 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.221 -171.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.66 -11.22 40.47 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.922 0.391 . . . . 0.0 110.477 176.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -130.63 -0.33 4.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.573 -176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -57.63 129.17 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -174.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.82 107.39 19.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.296 -0.865 . . . . 0.0 108.976 168.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.526 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 96.4 m-85 -72.08 -11.91 60.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.389 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.1 -42.54 69.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.041 0.448 . . . . 0.0 110.045 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 -32.22 43.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.192 0.52 . . . . 0.0 110.433 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -68.72 -17.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.76 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -57.22 -31.31 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.55 -47.48 5.12 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.919 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.676 HD11 HD13 ' A' ' 66' ' ' ILE . 10.1 pt . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.196 0.522 . . . . 0.0 110.776 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.63 72.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.065 0.46 . . . . 0.0 110.463 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.6 4.36 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 111' ' ' LYS . 34.6 ttmt -101.94 -39.37 7.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.834 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.04 108.35 2.41 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.423 ' CG2' ' HE1' ' A' ' 118' ' ' MET . 39.1 mm -75.04 112.44 12.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.471 0.653 . . . . 0.0 111.875 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 p -107.29 172.28 6.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.098 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.557 ' HE1' ' HG3' ' A' ' 8' ' ' LYS . 13.7 tpt -76.0 -31.1 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.563 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.63 85.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.763 174.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.44 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 1.5 tp60 -56.74 -64.56 0.83 Allowed 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.645 171.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.681 ' O ' ' HG2' ' A' ' 122' ' ' MET . 17.6 mmt -51.17 -46.77 62.19 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -55.05 -58.98 5.45 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.186 0.517 . . . . 0.0 111.343 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 0.0 111.524 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 4.0 t -76.68 -33.17 21.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.571 -174.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.681 ' HG2' ' O ' ' A' ' 118' ' ' MET . 30.9 mmt -66.73 -40.41 88.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.54 -30.43 71.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.903 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.91 50.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.481 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.73 -12.12 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.167 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 43.88 14.44 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.01 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -80.89 151.35 28.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.765 0.317 . . . . 0.0 110.541 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -94.55 111.46 23.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 134.4 45.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.606 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 90.4 t -133.37 78.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.158 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt . . . . . 0 C--O 1.235 0.314 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.178 174.798 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 2.2 mp0 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.318 0.58 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -100.79 129.84 46.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.196 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -104.77 131.36 52.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.807 0.337 . . . . 0.0 111.689 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.488 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 60.2 tttt -139.13 127.54 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD3' ' OG1' ' A' ' 22' ' ' THR . 36.2 ttpt -117.41 142.91 46.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.638 0.256 . . . . 0.0 110.82 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 16.0 p90 -130.12 148.62 51.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 46.4 t -137.86 115.46 11.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.226 0.536 . . . . 0.0 110.428 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.75 112.95 18.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.531 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -86.98 109.31 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 14' ' ' LEU . 1.6 pp -125.68 122.52 36.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 71.13 -39.86 0.46 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.6 0.76 . . . . 0.0 112.108 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' HB3' ' A' ' 43' ' ' SER . . . 158.43 -13.89 0.24 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 -176.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.493 HG22 HG13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -87.29 108.15 18.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.206 173.272 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 6.6 mt-10 -87.83 95.81 10.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.486 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.475 HG12 HG23 ' A' ' 37' ' ' THR . 63.6 mt -96.49 107.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -175.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -115.54 104.27 11.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.362 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.593 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 76.4 mt -100.43 113.05 34.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.559 -177.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.443 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 23.8 m -92.08 93.72 8.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.488 ' OH ' ' HD3' ' A' ' 8' ' ' LYS . 46.4 p90 -102.98 136.0 43.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.629 0.728 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 94.3 t -105.29 118.11 52.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 33.2 p90 -112.04 167.87 10.05 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -143.92 93.36 2.44 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.27 -115.62 4.07 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.485 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -103.17 -6.22 22.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.024 0.412 . . . . 0.0 111.694 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HD3' HD22 ' A' ' 31' ' ' LEU . 76.0 tttt -109.84 134.13 52.39 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.813 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.9 t -80.48 123.9 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 168.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.52 HD22 ' HD3' ' A' ' 29' ' ' LYS . 78.4 mt -106.86 -14.02 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -150.58 139.64 21.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -128.68 105.33 8.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -94.16 96.48 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.499 ' HA ' HG12 ' A' ' 21' ' ' ILE . 7.6 p -97.24 94.54 7.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.43 0.633 . . . . 0.0 110.47 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.76 111.63 23.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.113 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.475 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -109.02 113.36 26.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.218 0.532 . . . . 0.0 110.564 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 42.9 tttm -94.83 98.4 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.891 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.493 HG13 HG22 ' A' ' 17' ' ' THR . 4.0 mp -94.47 114.82 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.516 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.8 147.61 53.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.406 ' HA ' HG21 ' A' ' 44' ' ' ILE . 8.7 m-30 -64.07 -20.77 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.985 179.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.48 -28.16 60.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.667 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 11.2 p -91.33 -31.24 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 0.0 111.502 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.492 ' HB ' HG23 ' A' ' 39' ' ' ILE . 9.3 tt -81.51 -30.64 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 26.68 22.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.667 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -91.19 136.01 33.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.389 . . . . 0.0 110.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -102.96 -11.41 18.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -155.93 159.33 39.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.621 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 75' ' ' TYR . 36.7 ttpt -54.53 -56.57 17.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.623 0.249 . . . . 0.0 111.378 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -31.63 72.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.22 0.533 . . . . 0.0 110.378 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.12 -41.75 97.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.491 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.27 90.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.312 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.87 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.885 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.18 -20.58 55.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.639 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -98.85 -34.05 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD11 ' HE1' ' A' ' 75' ' ' TYR . 95.6 mt -87.14 -33.58 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -175.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.81 -52.65 65.73 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 -8.57 23.19 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.749 1.632 . . . . 0.0 112.54 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tt -90.7 -54.85 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.654 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 m -65.07 -25.16 67.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.832 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.78 -10.09 49.73 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.591 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.84 -23.59 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.38 22.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.668 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.75 90.0 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.421 0.688 . . . . 0.0 111.791 -177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 48.23 47.05 19.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.2 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.8 -48.15 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 122.044 0.926 . . . . 0.0 109.081 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . . . -151.89 -152.77 0.44 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.12 -1.4 . . . . 0.0 107.731 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.45 53.16 3.15 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.429 -1.069 . . . . 0.0 110.429 171.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 86' ' ' ILE . 17.0 m -89.38 108.05 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.432 0.634 . . . . 0.0 111.092 -173.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 8.3 mm-40 -93.83 116.02 28.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.28 177.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 115.34 30.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 0.0 110.686 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.5 mptp? -115.3 99.83 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.01 0.433 . . . . 0.0 111.053 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.87 98.81 9.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.681 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.694 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 78.0 p -102.86 119.79 39.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.077 0.465 . . . . 0.0 110.587 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HE1' HD11 ' A' ' 56' ' ' LEU . 44.6 m-85 -107.25 103.09 12.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.84 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -79.17 -69.77 0.55 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -161.49 -53.35 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.968 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -121.01 9.64 10.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -154.25 154.44 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.964 0.412 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.57 118.02 31.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.506 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.694 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 53.6 tt0 -98.08 100.42 11.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -86.45 92.6 8.9 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -85.9 102.88 14.12 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.15 142.02 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.056 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 19.3 m -131.56 100.16 5.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.503 HG12 HG13 ' A' ' 69' ' ' VAL . 65.0 mt -102.4 136.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.064 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -90.57 136.17 33.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.116 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.2 mmm -96.12 23.92 6.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.386 0.612 . . . . 0.0 109.987 -174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.22 -45.58 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.953 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 75.4 tttt -97.85 3.93 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.18 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -48.55 110.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.113 0.482 . . . . 0.0 112.203 -179.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -87.56 98.77 11.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 56.0 m-85 -71.7 -15.43 62.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.351 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' HD3' ' A' ' 94' ' ' LYS . 7.8 tmtm? -73.63 -44.59 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.22 81.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.011 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 2.0 mt -64.39 -23.19 67.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.409 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.11 -40.54 58.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.67 0.388 . . . . 0.0 111.61 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.26 3.88 69.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.962 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.342 0.592 . . . . 0.0 110.676 -176.385 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.25 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -60.7 -32.56 71.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.691 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -92.88 8.53 39.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.7 157.48 22.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.447 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.2 mm -110.04 129.83 64.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 111.208 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -127.59 172.04 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.52 -33.12 66.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.039 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.55 87.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.323 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.37 -62.33 1.67 Allowed 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.687 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.57 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -47.36 -36.23 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.203 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -61.71 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.784 0.326 . . . . 0.0 111.397 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -51.78 66.23 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.513 0.673 . . . . 0.0 111.322 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 t -55.7 -43.92 75.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.906 -177.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.658 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -69.36 -36.96 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.045 -0.409 . . . . 0.0 111.057 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.14 -23.13 61.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.201 0.524 . . . . 0.0 110.193 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -45.16 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.374 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.57 -25.27 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.153 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.05 25.16 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.295 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.658 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 10.5 m-85 -75.08 150.09 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.016 0.436 . . . . 0.0 110.114 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -98.35 95.25 7.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.803 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.02 124.12 22.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.494 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.3 t -107.01 90.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.485 0.659 . . . . 0.0 110.474 178.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.559 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.13 0.49 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.1 mm-40 -107.7 154.2 21.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.595 -176.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -118.91 118.42 31.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.71 0.29 . . . . 0.0 111.438 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 41.2 ttmt -113.16 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 58.8 tttp -97.91 141.1 31.3 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.677 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.2 p90 -130.65 153.2 49.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 51.9 p -135.3 133.01 38.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.147 0.499 . . . . 0.0 111.003 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.88 105.93 5.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.983 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 41.8 t-20 -83.04 102.55 11.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -116.73 112.68 21.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.64 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 64.99 21.01 12.25 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.346 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.37 -10.12 57.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.925 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 HG22 HG12 ' A' ' 39' ' ' ILE . 44.8 m -92.75 102.08 14.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.8 mt-10 -84.61 102.86 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 37' ' ' THR . 27.3 mt -90.68 105.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -112.71 92.73 4.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.444 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.677 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 50.7 mt -93.71 116.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.224 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 3.1 m -102.14 96.6 7.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.315 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 36.3 p90 -99.69 130.59 45.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.708 0.766 . . . . 0.0 111.447 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 t -96.3 122.77 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.812 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -121.88 148.98 44.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.377 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' HG3' HD13 ' A' ' 31' ' ' LEU . 34.4 mtpt -126.42 101.91 6.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.31 -115.82 4.11 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -170.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.68 8.12 12.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 110.547 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD2' ' HG ' ' A' ' 31' ' ' LEU . 12.8 ttmt -100.31 139.19 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' SD ' ' A' ' 88' ' ' MET . 11.7 t -98.3 123.57 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 26' ' ' LYS . 5.8 mp -109.7 -19.42 13.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -170.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 97.5 mttt -139.14 118.1 12.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.601 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 52.6 tt0 -107.2 92.41 4.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -86.65 99.79 11.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.164 0.507 . . . . 0.0 109.706 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.769 ' HG ' ' HB ' ' A' ' 84' ' ' VAL . 20.6 p -97.32 96.86 8.67 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 28.7 tt0 -107.64 104.68 14.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.0 -175.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.659 ' HG1' ' HB3' ' A' ' 82' ' ' GLU . 1.4 p -96.56 112.79 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.657 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 54.3 tttm -87.57 86.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.565 0.698 . . . . 0.0 109.403 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 17' ' ' THR . 47.6 mt -86.86 113.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.297 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 29.3 mm-40 -72.79 144.69 47.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 4.5 m-30 -61.72 -21.43 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.37 71.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.205 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -75.74 -43.75 45.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.494 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.2 tt -75.34 -30.07 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.31 34.58 7.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.785 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -122.6 162.11 22.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -128.29 -32.47 2.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.352 0.596 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.452 ' HB ' ' OE2' ' A' ' 50' ' ' GLU . 1.8 p -93.32 147.88 22.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.939 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -61.84 -42.66 99.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.985 -173.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 1.3 pm0 -79.91 -19.73 47.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.542 -175.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -77.91 -22.46 49.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.512 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 -38.09 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.573 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -58.76 -38.98 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.273 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 63.7 mttp -51.53 -34.77 37.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.626 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.494 ' HB ' HD11 ' A' ' 44' ' ' ILE . 10.6 m -96.77 -33.55 11.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.833 -175.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 71.9 mt -89.35 -26.28 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 43.9 mt-10 -60.12 -50.88 84.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 O-C-N 122.012 -0.43 . . . . 0.0 111.642 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 37.9 Cg_endo -68.53 -9.75 26.99 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.188 1.925 . . . . 0.0 112.269 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 24.5 tp -76.0 -52.89 9.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -66.31 -33.08 74.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.159 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.9 -2.59 2.71 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.582 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -80.86 -15.69 55.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.7 m-85 -85.7 -57.71 2.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HB2' ' HZ3' ' A' ' 64' ' ' LYS . 3.0 ttpm? 55.01 48.84 18.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.55 171.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 50.77 59.65 4.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.332 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.9 mt -58.57 -41.13 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 111.08 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 90' ' ' LYS . . . -148.17 -91.57 0.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.279 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.2 7.29 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 86' ' ' ILE . 9.3 m -86.9 110.33 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.68 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -106.83 112.44 25.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.75 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.85 129.05 40.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.52 103.65 5.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 111.762 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.12 107.09 13.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 29.4 p -105.5 109.17 21.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 71.8 m-85 -91.68 126.59 36.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.19 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.6 m -97.06 -60.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.491 . . . . 0.0 110.451 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -179.31 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.324 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 m -93.12 -0.38 57.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.68 0.752 . . . . 0.0 110.32 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 p90 -159.67 161.62 34.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.582 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.94 132.3 47.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.944 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 22.6 mt-30 -103.14 115.36 30.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.659 ' HB3' ' HG1' ' A' ' 37' ' ' THR . 8.6 tp10 -92.06 108.42 19.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -98.38 100.53 11.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.715 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.769 ' HB ' ' HG ' ' A' ' 35' ' ' SER . 53.8 t -104.91 113.07 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.178 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 7.2 m -97.62 104.5 16.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.65 ' HA ' HG13 ' A' ' 69' ' ' VAL . 70.4 mt -94.35 108.91 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.568 ' O ' HG11 ' A' ' 91' ' ' VAL . 10.9 t70 -72.5 112.94 9.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.601 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 53.8 mtp -95.23 25.07 4.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -113.15 -36.19 5.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.42 0.629 . . . . 0.0 109.679 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 7.3 tmtt? -106.87 9.28 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.399 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -54.93 140.29 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -176.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.18 102.9 13.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.988 -1.005 . . . . 0.0 108.571 169.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 70.2 m-85 -71.35 -17.82 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -174.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 28.1 ttpt -57.65 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.48 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 14.5 tp -58.38 -34.84 71.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.63 -27.56 66.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.393 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.75 4.83 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.565 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.597 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 t0 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.325 0.583 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -34.76 62.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.231 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.57 -34.09 73.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -93.75 7.61 44.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.837 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.41 134.06 8.25 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.953 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.873 HG22 ' HE2' ' A' ' 118' ' ' MET . 48.8 mm -103.88 126.71 58.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.757 0.313 . . . . 0.0 110.439 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -121.51 -171.99 2.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 15.3 tpt -65.88 -35.71 81.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.25 86.74 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.486 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.451 ' HG2' HD13 ' A' ' 113' ' ' ILE . 4.7 mp0 -56.0 -73.81 0.05 Allowed 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.873 ' HE2' HG22 ' A' ' 113' ' ' ILE . 25.9 mmt -38.73 -49.11 1.57 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 115' ' ' MET . 16.7 mm-40 -57.09 -54.09 50.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.002 0.43 . . . . 0.0 111.193 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.89 -30.44 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.183 0.516 . . . . 0.0 111.675 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.94 -39.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.025 -173.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.699 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -73.1 -33.8 65.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 177.149 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.91 -35.63 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -44.0 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.984 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.04 -27.21 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.6 43.09 3.0 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.071 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.699 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 23.5 m-85 -103.65 139.89 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -103.09 144.76 30.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 142.03 32.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.256 0.55 . . . . 0.0 110.699 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.6 t -111.58 88.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.428 -176.296 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.313 0.578 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -97.54 124.12 41.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.441 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -96.26 118.39 32.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.231 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -113.16 119.25 37.16 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.644 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 44.4 tttp -115.15 146.28 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.798 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.652 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.3 p90 -146.51 155.82 42.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 48.2 t -148.01 122.53 9.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.123 0.487 . . . . 0.0 110.352 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.29 119.1 30.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.176 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -79.69 94.31 5.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HB2' ' HG1' ' A' ' 17' ' ' THR . 60.4 mt -81.51 69.55 8.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 71.38 -55.35 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.044 0.938 . . . . 0.0 111.362 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.52 -39.93 0.19 Allowed Glycine 0 C--N 1.314 -0.677 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.213 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.507 ' HG1' ' HB2' ' A' ' 14' ' ' LEU . 3.8 p -81.08 110.96 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.017 0.437 . . . . 0.0 111.295 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.9 mt-10 -85.16 94.62 8.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' SER . 44.8 mt -93.24 102.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -111.74 102.98 11.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.452 0.644 . . . . 0.0 109.758 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.652 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 61.6 mt -98.16 127.66 50.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 m -114.74 93.77 4.47 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.363 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.853 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 4.6 p90 -101.55 114.36 28.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 111.384 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -85.98 120.35 35.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.921 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -112.49 155.86 23.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -123.1 96.2 4.91 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.53 -116.12 4.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.078 -174.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.44 -12.96 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.994 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -97.67 122.91 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.129 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.64 126.18 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -110.29 -61.99 1.58 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -112.51 116.57 30.46 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.63 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.853 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 28.3 tt0 -113.32 98.87 7.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 p -85.62 103.51 14.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.592 0.711 . . . . 0.0 110.144 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.486 ' HA ' HG12 ' A' ' 21' ' ' ILE . 8.2 m -97.99 96.99 8.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.581 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -99.12 109.16 21.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.426 HG22 HG12 ' A' ' 19' ' ' ILE . 26.5 m -99.7 114.02 26.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.306 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 38.7 tttm -102.17 114.61 28.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.497 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.436 HG13 HG22 ' A' ' 17' ' ' THR . 3.5 mp -115.21 129.49 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.391 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -81.82 156.41 24.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -61.01 -30.55 70.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.585 0.231 . . . . 0.0 111.474 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.53 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 111.245 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -81.99 -38.97 24.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 46' ' ' ALA . 10.4 tt -81.0 -33.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.978 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.04 15.76 53.04 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.169 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.586 ' H ' HG22 ' A' ' 44' ' ' ILE . . . -87.42 131.62 34.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 110.632 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 -14.36 38.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.247 0.546 . . . . 0.0 110.575 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.569 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 32.0 p -140.97 161.89 36.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.789 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -76.98 -19.71 56.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.569 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 24.4 mp0 -66.08 -48.59 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.166 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -72.63 -25.06 61.15 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.564 176.037 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.45 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.88 83.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.187 0.518 . . . . 0.0 110.083 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 51' ' ' ASP . 54.4 tttt -51.4 -30.37 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.796 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.6 m -92.16 -41.4 10.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.7 mt -84.68 -39.28 18.75 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 49.6 mt-10 -49.53 -53.03 44.91 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -175.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.8 Cg_endo -61.31 -16.08 44.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.197 1.932 . . . . 0.0 113.093 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.81 -46.6 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.364 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -64.63 -32.56 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.312 0.577 . . . . 0.0 110.097 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.82 -4.66 21.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 28.4 mtpp -72.54 -28.0 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.652 ' O ' HG13 ' A' ' 66' ' ' ILE . 91.2 m-85 -76.07 -37.76 57.85 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 171.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 43.1 tttm 57.57 -92.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.342 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.487 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 2.0 t-20 -172.03 37.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.652 HG13 ' O ' ' A' ' 63' ' ' TYR . 22.2 mt -50.03 -37.91 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.442 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -151.04 -146.01 0.19 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 30.0 1.29 Allowed Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.978 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.788 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.4 m -86.3 102.49 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 110.478 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -93.63 140.79 29.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.495 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 93.77 4.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.624 0.726 . . . . 0.0 110.054 172.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 4.5 ttmp? -100.35 96.95 7.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.371 0.605 . . . . 0.0 109.711 -176.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -86.65 110.59 19.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.467 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 17.4 p -101.63 109.14 20.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.466 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -94.06 105.67 17.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.208 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.2 m -110.4 146.9 35.03 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.99 -7.9 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 111.724 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -104.48 -30.27 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.862 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -161.92 151.61 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.27 117.6 31.59 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 4.8 tt0 -104.97 120.03 40.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 110.574 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -87.34 91.72 8.82 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.536 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 15.4 t-20 -81.1 104.01 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.377 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -108.4 133.44 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.922 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 49.2 m -109.3 107.97 18.38 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.79 99.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.496 ' O ' HG11 ' A' ' 91' ' ' VAL . 32.7 t0 -93.37 111.3 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.033 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.6 mmt -80.23 6.96 10.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.484 -168.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE2' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -101.86 1.31 36.87 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.296 -174.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HB2' ' OE2' ' A' ' 89' ' ' GLU . 82.6 tttt -143.96 3.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.712 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -67.7 148.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -115.91 104.43 11.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.648 168.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -66.32 -19.85 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.705 ' HZ1' ' HB3' ' A' ' 94' ' ' LYS . 6.7 ttpm? -61.26 -35.85 78.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.71 -25.57 19.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.423 . . . . 0.0 110.83 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.493 ' O ' HD21 ' A' ' 96' ' ' LEU . 3.6 tt -66.39 -32.27 73.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -65.66 -24.5 67.03 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.603 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.0 -19.21 75.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.41 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.401 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 37.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.404 0.621 . . . . 0.0 110.057 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.13 77.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.545 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -77.72 -15.15 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.827 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -95.63 -30.79 13.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.424 . . . . 0.0 111.054 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.95 120.41 4.36 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.39 119.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 0.0 112.234 -171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.8 p -122.3 172.3 8.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.4 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 22.4 tpp -68.62 -40.85 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.338 -0.145 . . . . 0.0 110.796 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.9 -45.46 67.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.136 0.494 . . . . 0.0 110.292 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.64 -63.3 1.21 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.811 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.575 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.4 mmt -49.5 -28.45 5.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.45 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.792 0.33 . . . . 0.0 111.319 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.4 -30.18 68.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.15 -43.69 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.87 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.91 -32.57 67.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.651 178.305 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.81 -22.51 59.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.308 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.93 64.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.432 175.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.01 -26.79 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.92 32.18 11.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.089 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.602 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.0 m-85 -76.3 152.24 36.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.024 0.44 . . . . 0.0 111.19 -178.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -92.23 112.54 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.272 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -70.22 136.9 50.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.0 110.861 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 39.5 t -126.98 83.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.806 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 9.6 tp10 -139.15 142.77 37.99 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.952 -0.467 . . . . 0.0 110.499 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.1 p -116.92 119.24 34.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.321 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -112.98 112.31 23.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.36 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -101.92 137.96 39.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.214 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p90 -144.54 162.07 37.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 171.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.527 ' OG ' HG23 ' A' ' 130' ' ' VAL . 52.2 p -154.42 121.67 5.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.43 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.42 114.48 22.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -90.88 104.96 17.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.671 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.42 24.93 2.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.026 0.441 . . . . 0.0 110.397 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 59.26 91.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.111 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 -35.38 4.13 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 16.2 p -128.04 131.5 49.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.758 0.313 . . . . 0.0 110.992 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 18.6 mt-10 -103.03 107.64 18.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.2 mt -99.1 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.109 0.481 . . . . 0.0 110.044 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.15 114.9 25.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.318 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 36.7 mt -113.11 129.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -112.8 107.43 16.05 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.44 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 7' ' ' SER . 60.9 m-85 -87.45 111.26 20.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.899 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 96.3 t -96.26 103.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 52.5 p90 -122.93 153.21 40.0 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.481 -173.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 17.9 ttmm -114.48 91.1 3.51 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.76 -116.12 5.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.649 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -84.79 -23.71 29.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.472 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 107.8 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.543 -171.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 48.5 t -76.49 119.07 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -102.35 -35.76 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.919 -173.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 66.7 mttm -129.21 117.58 20.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.011 0.434 . . . . 0.0 110.944 177.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -107.55 101.32 10.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 29.0 m -88.11 91.36 8.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.769 176.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -108.16 101.9 11.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -101.52 136.52 41.23 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.521 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 m -119.64 100.69 7.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 0.0 109.851 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.5 ttmp? -82.27 108.34 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.483 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG12 HG21 ' A' ' 17' ' ' THR . 50.0 mt -99.82 126.27 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.314 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -78.56 155.11 29.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -74.83 60.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 110.857 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.9 -44.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 m -78.97 -7.42 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.766 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.611 HG21 ' H ' ' A' ' 46' ' ' ALA . 11.0 tt -106.93 -26.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.588 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.34 8.56 87.49 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.783 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.611 ' H ' HG21 ' A' ' 44' ' ' ILE . . . -72.02 121.92 19.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 m -71.03 -48.09 54.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 168.59 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -64.46 -25.63 68.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.051 0.453 . . . . 0.0 109.844 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' CD ' ' HZ2' ' A' ' 54' ' ' LYS . 5.4 tm-20 -62.45 -48.37 79.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.752 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 31.7 m-20 -62.91 -34.57 77.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.39 36.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.613 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.28 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.685 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 16.4 ttpt -56.72 -28.13 60.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.29 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 m -99.22 -38.34 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.821 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -87.61 -30.83 20.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 36.2 mt-10 -58.75 -50.0 90.39 Favored Pre-proline 0 CA--C 1.536 0.44 0 O-C-N 121.981 -0.45 . . . . 0.0 112.208 -177.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 28.2 Cg_endo -65.71 -13.34 39.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.885 1.723 . . . . 0.0 112.506 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 tt -91.94 -41.5 10.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.306 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.438 ' HG ' HD13 ' A' ' 73' ' ' LEU . 11.1 p -67.72 -22.71 65.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.08 -6.01 5.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.147 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.723 ' HG2' HG21 ' A' ' 99' ' ' ILE . 36.5 ttpt -60.04 -38.05 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.027 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.1 m-85 -84.57 -29.93 25.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.633 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 28.5 ttmt 59.48 -96.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.407 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 6.0 p30 -172.2 37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 63' ' ' TYR . 17.4 mt -47.35 -45.82 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.243 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -145.97 -145.47 0.17 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.453 -176.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.503 ' HA3' ' CB ' ' A' ' 87' ' ' ASP . . . -78.12 36.91 1.73 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.614 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -93.95 100.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.262 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.58 121.13 40.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.295 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 96.62 7.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.398 0.618 . . . . 0.0 110.084 176.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -99.92 101.54 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.952 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' A' ' 60' ' ' SER . 75.9 mt -84.35 107.28 16.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.654 173.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.585 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.0 p -110.48 115.48 29.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.22 0.534 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -104.66 117.45 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.483 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.9 m -110.52 -40.47 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -164.8 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.87 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' HG21 ' A' ' 78' ' ' THR . 16.9 m -111.79 13.97 21.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.068 0.937 . . . . 0.0 109.634 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -143.67 147.99 35.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.745 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.07 124.99 45.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.143 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.585 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 47.7 mt-30 -98.19 114.68 26.99 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.348 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -85.29 84.07 7.78 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.419 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -82.53 102.38 11.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.11 -177.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.9 116.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.538 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 29.9 m -108.19 120.04 41.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.6 mt -113.22 108.38 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' CB ' ' HA3' ' A' ' 68' ' ' GLY . 4.6 t0 -84.53 109.0 17.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.54 16.06 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 1.43 21.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.26 0.552 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -135.8 -2.81 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.465 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.36 152.94 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 112.885 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -117.76 98.35 6.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.363 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -64.14 -20.75 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.381 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -66.05 -52.53 48.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.362 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.78 71.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.19 -22.22 66.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.692 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.36 -13.02 61.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.319 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.88 20.51 8.62 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.487 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.723 HG21 ' HG2' ' A' ' 62' ' ' LYS . 64.4 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.67 0.271 . . . . 0.0 111.636 -176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.09 -17.16 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.15 0.5 . . . . 0.0 110.376 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.31 -40.3 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.118 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -70.63 -39.3 73.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.24 135.51 3.69 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.439 ' CG2' ' HE2' ' A' ' 118' ' ' MET . 43.9 mm -86.39 112.81 23.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.9 p -121.91 -173.9 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.214 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.731 ' HA ' ' HE2' ' A' ' 115' ' ' MET . 0.0 OUTLIER -66.16 -47.5 73.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 178.074 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.17 84.17 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.806 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.538 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -50.92 -64.8 0.7 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 174.549 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.439 ' HE2' ' CG2' ' A' ' 113' ' ' ILE . 19.0 mmt -54.79 -39.73 68.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.98 -58.78 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.46 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.88 0.848 . . . . 0.0 111.061 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.0 t -73.83 -43.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.921 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 118' ' ' MET . 16.5 mmt -75.27 -28.24 59.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 111.047 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.28 -31.62 69.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.34 81.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -25.15 53.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.54 45.33 6.16 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.236 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -96.73 176.04 6.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -124.79 136.78 54.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 111.089 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.36 146.98 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.166 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.527 HG23 ' OG ' ' A' ' 11' ' ' SER . 6.8 t -122.82 -35.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.621 -177.662 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 42.8 mt-10 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 5.0 mm-40 -97.15 116.05 28.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.336 0.589 . . . . 0.0 110.618 -164.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -101.6 112.77 25.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.783 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -113.15 117.76 32.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HE2' ' OG1' ' A' ' 22' ' ' THR . 37.5 ttmt -105.07 146.53 28.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.33 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 17.1 p90 -129.7 145.75 51.51 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 167.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 24.6 t -146.54 131.63 18.31 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.506 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.87 24.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.892 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.14 108.54 18.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.839 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 mt -82.52 -161.08 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -55.94 -35.39 66.59 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.27 23.46 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 7.6 p -136.66 130.63 32.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.866 0.365 . . . . 0.0 111.295 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 21.3 mt-10 -95.08 103.91 15.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 11' ' ' SER . 37.4 mt -97.45 104.88 16.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.285 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.16 104.31 9.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.316 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.684 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 45.8 mt -106.79 115.67 48.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.693 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.405 ' OG1' ' HE2' ' A' ' 9' ' ' LYS . 10.4 m -100.24 94.22 6.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.727 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . 13.3 p90 -88.69 127.4 35.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.512 0.672 . . . . 0.0 110.427 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 57.7 t -102.04 115.22 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.106 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 22.9 p90 -116.14 155.07 28.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.931 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -127.65 97.77 4.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.53 -115.63 4.08 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -105.4 -25.8 12.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 0.0 109.471 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.567 ' HB2' ' HZ2' ' A' ' 29' ' ' LYS . 4.5 ttmp? -76.43 123.49 26.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.781 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 17.3 t -84.35 128.05 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HD2' ' A' ' 29' ' ' LYS . 96.5 mt -113.07 -27.98 7.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 98.6 mttt -138.05 150.95 47.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 23' ' ' TYR . 36.6 tt0 -140.5 108.45 5.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -90.4 92.27 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.539 ' HA ' HG12 ' A' ' 21' ' ' ILE . 18.5 m -97.8 94.13 6.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.516 ' HG3' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -94.61 127.56 40.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.08 0.467 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.492 HG23 HG12 ' A' ' 19' ' ' ILE . 40.1 m -118.79 112.77 20.14 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.331 174.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.633 ' HB2' ' HZ2' ' A' ' 38' ' ' LYS . 4.3 ttmp? -91.94 102.14 14.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.04 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 4.5 mp -90.65 113.07 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.003 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HG2' ' A' ' 38' ' ' LYS . 7.6 mm100 -73.62 153.51 40.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.53 64.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 110.807 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.07 -67.35 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.784 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 m -70.0 -25.53 63.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.708 HG22 ' H ' ' A' ' 46' ' ' ALA . 11.4 tt -74.32 -24.62 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.68 77.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.317 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.708 ' H ' HG22 ' A' ' 44' ' ' ILE . . . -102.05 152.43 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.46 0.172 . . . . 0.0 110.607 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -134.62 4.31 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.922 0.391 . . . . 0.0 111.614 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -151.0 156.05 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.19 -41.67 96.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.807 0.276 . . . . 0.0 111.387 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.24 -47.68 84.93 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.385 0.612 . . . . 0.0 109.553 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 46' ' ' ALA . 17.5 t70 -62.61 -37.94 88.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.56 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.817 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 75' ' ' TYR . . . -60.38 -43.46 96.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.197 0.522 . . . . 0.0 110.201 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -61.0 -15.68 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.257 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -98.83 -35.56 10.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.623 HD12 ' HE1' ' A' ' 75' ' ' TYR . 71.6 mt -93.04 -25.41 17.95 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 4.8 mm-40 -53.75 -48.95 91.73 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.9 Cg_endo -60.3 -19.39 57.62 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.798 1.665 . . . . 0.0 112.562 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.27 -44.2 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 p -66.73 -27.59 67.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.254 0.55 . . . . 0.0 110.503 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 -11.45 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.462 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.86 -30.66 61.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.719 0.295 . . . . 0.0 110.348 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.423 ' HA ' HD11 ' A' ' 66' ' ' ILE . 87.5 m-85 -81.64 13.06 3.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.108 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -51.78 96.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.847 0.717 . . . . 0.0 112.317 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 52.83 46.49 26.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.361 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.466 HG22 ' HB2' ' A' ' 95' ' ' ALA . 59.7 mt -66.3 -38.77 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.989 0.9 . . . . 0.0 109.391 173.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.86 -149.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.023 -1.444 . . . . 0.0 108.372 -172.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.97 45.01 1.89 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.506 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.5 m -89.64 123.5 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 121.241 0.543 . . . . 0.0 110.325 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 32.7 mt-10 -119.95 93.02 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.47 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.6 pm0 -81.74 101.04 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.653 0.74 . . . . 0.0 109.63 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -100.1 103.44 14.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.059 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD11 ' OH ' ' A' ' 75' ' ' TYR . 51.4 mt -93.58 114.18 26.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.345 -175.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.649 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 79.4 p -118.31 114.66 23.31 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.623 ' HE1' HD12 ' A' ' 56' ' ' LEU . 90.6 m-85 -100.75 136.12 41.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.922 -175.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.0 p -115.96 -155.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.93 -24.03 17.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.8 m -110.15 -33.6 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.818 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -142.1 155.86 45.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.369 0.604 . . . . 0.0 111.86 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.49 119.94 40.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.318 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.649 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.9 OUTLIER -98.12 105.67 17.85 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.49 93.99 5.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.828 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.555 ' HB2' ' OE1' ' A' ' 81' ' ' GLN . 3.3 t-20 -88.38 106.31 18.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -96.78 104.96 16.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.403 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 20.3 m -92.89 103.13 15.49 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.15 112.49 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.357 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.579 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.6 t70 -79.35 114.81 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.8 mtt -88.91 12.44 15.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -95.28 -41.89 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.179 0.514 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -95.4 0.17 53.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.304 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.82 139.51 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.368 0.604 . . . . 0.0 112.53 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' CG ' ' HZ2' ' A' ' 94' ' ' LYS . 20.2 t70 -116.56 96.97 5.75 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.641 174.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -60.14 -37.62 80.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.318 -171.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HZ2' ' CG ' ' A' ' 92' ' ' ASP . 25.6 pttm -64.29 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.263 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB2' HG22 ' A' ' 66' ' ' ILE . . . -82.92 -39.06 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 0.0 110.378 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -23.81 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.54 -28.25 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 0.08 77.37 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.859 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 66' ' ' ILE . 4.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.355 0.598 . . . . 0.0 110.019 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.468 ' OD1' ' HG3' ' A' ' 117' ' ' GLN . 24.3 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.138 0.494 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.34 -27.63 65.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.53 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.97 -17.92 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.902 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 111' ' ' LYS . 29.6 ttpt -91.38 -35.26 14.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.56 105.52 1.32 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.197 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.45 110.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.346 0.594 . . . . 0.0 110.957 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 179.72 5.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.294 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -57.7 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.747 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.48 72.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.675 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.5 mp0 -58.95 -64.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.48 176.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.85 ' HA ' ' HE3' ' A' ' 118' ' ' MET . 10.2 mmt -49.87 -37.96 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.459 0.474 . . . . 0.0 111.414 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.2 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.891 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.406 ' O ' HD21 ' A' ' 120' ' ' LEU . 5.4 tt -65.25 -41.47 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 0.0 110.428 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.675 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -66.68 -37.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.088 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 118' ' ' MET . 12.2 mmt -76.79 -29.25 55.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -64.14 -39.14 93.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.37 84.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.906 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.43 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.697 0.284 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 81.86 28.99 40.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.178 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.55 159.29 26.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.777 0.322 . . . . 0.0 110.285 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' SER . 39.5 mmtm -90.79 124.86 35.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.417 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -78.64 133.63 37.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.206 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.53 112.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.738 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.782 -176.756 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 10.5 tp10 -105.12 137.51 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t -96.13 116.08 28.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.296 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD3' ' HE1' ' A' ' 115' ' ' MET . 52.5 tttm -123.92 116.02 22.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 22' ' ' THR . 37.8 ttpt -116.06 139.52 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 111.826 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.671 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 17.6 p90 -126.61 167.11 16.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 170.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -154.74 118.67 4.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 0.0 110.38 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.11 133.21 55.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.691 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -92.75 96.19 10.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.49 101.11 13.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.605 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 63.6 18.52 11.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.85 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.78 -13.39 17.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.178 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 m -109.02 116.86 32.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.2 mt-10 -76.24 140.67 41.71 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.495 HG23 HG13 ' A' ' 21' ' ' ILE . 17.8 mt -126.08 101.4 8.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.31 99.97 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.881 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.671 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 40.1 mt -101.65 117.41 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 9' ' ' LYS . 3.9 m -104.87 101.17 10.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.833 174.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -103.75 128.02 51.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.651 0.738 . . . . 0.0 110.97 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 90.9 t -95.73 115.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.249 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -117.54 161.21 19.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.356 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -137.75 104.99 5.45 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -115.98 4.41 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -109.82 6.78 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.646 0.736 . . . . 0.0 109.595 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 34.6 ttmt -105.86 110.63 22.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.712 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.34 119.85 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.49 -21.62 13.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -170.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.58 135.53 14.66 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.409 ' HB2' ' HE1' ' A' ' 88' ' ' MET . 32.4 tt0 -123.03 108.32 12.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.751 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.468 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 6.4 p -92.78 94.73 9.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.357 0.599 . . . . 0.0 109.927 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -97.82 118.06 33.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.765 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.63 112.04 23.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.15 0.5 . . . . 0.0 110.118 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -98.24 111.38 23.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.925 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HB2' ' HZ3' ' A' ' 38' ' ' LYS . 4.7 ttmp? -94.59 111.04 22.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 111.203 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.61 119.94 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.749 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -73.57 140.25 46.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HA ' HG21 ' A' ' 44' ' ' ILE . 3.8 m-85 -59.61 -30.37 68.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 111.007 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.37 62.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.679 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -92.57 -31.45 15.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' HB ' ' A' ' 55' ' ' THR . 8.6 tt -87.51 -25.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.05 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.8 38.28 14.29 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.299 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.13 131.59 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.736 0.303 . . . . 0.0 110.806 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 m -92.87 -34.12 13.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.307 0.575 . . . . 0.0 109.979 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -123.16 171.38 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.164 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -73.46 -26.56 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -68.67 -36.38 78.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.15 -46.15 89.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.192 0.52 . . . . 0.0 110.048 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.54 73.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.331 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -59.64 -44.73 93.4 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 7.4 ttpm? -57.49 -25.31 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -177.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 44' ' ' ILE . 2.6 m -99.25 -34.24 10.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.3 -27.43 22.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -173.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 20.3 mt-10 -56.74 -45.49 99.94 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 81.5 Cg_exo -43.13 -33.77 3.75 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.849 2.366 . . . . 0.0 113.333 170.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.49 -45.65 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.952 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 57' ' ' GLU . 62.3 p -67.81 -28.47 67.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 111.584 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.87 29.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.88 -2.57 58.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.87 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 75.9 m-85 -89.47 2.15 54.92 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -55.62 106.61 0.26 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.306 0.575 . . . . 0.0 111.966 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.19 43.06 21.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.567 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 22.2 mt -78.6 -35.07 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.547 0.689 . . . . 0.0 109.675 173.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.84 -154.22 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.74 2.8 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 168.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 85' ' ' THR . 18.8 m -81.77 108.84 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.736 0.779 . . . . 0.0 110.685 -173.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.54 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 22.2 tt0 -93.34 102.98 15.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.841 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.17 121.78 38.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.596 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 99.0 mttt -125.2 97.09 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.124 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.6 mt -82.92 98.7 9.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 172.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 108.99 19.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.085 -171.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.65 102.26 13.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -79.96 -51.96 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.413 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.17 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.721 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -101.9 -6.7 23.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.251 0.548 . . . . 0.0 110.997 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -142.01 145.95 35.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 111.034 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.74 120.44 41.99 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.496 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -97.93 110.21 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -86.36 79.66 8.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 3.6 t-20 -82.16 102.97 11.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.498 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' CE2' ' A' ' 63' ' ' TYR . 32.2 t -111.57 130.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -175.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 14.6 m -110.58 103.48 12.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.002 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.97 107.33 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.572 0.225 . . . . 0.0 110.573 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.8 113.5 7.11 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.564 ' HA ' HG23 ' A' ' 91' ' ' VAL . 58.3 mtt -83.4 7.75 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.149 0.5 . . . . 0.0 110.594 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.52 -30.13 46.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.492 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -145.94 76.75 1.47 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.255 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 88' ' ' MET . 1.6 t -95.5 131.19 42.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.485 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -83.88 83.6 7.87 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.429 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 19.2 m-85 -61.72 -21.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.586 -174.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -73.64 -40.74 63.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.701 0.286 . . . . 0.0 110.454 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.86 -25.24 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 0.0 110.099 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.77 -27.24 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.11 -4.05 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.043 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.31 -21.44 51.84 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.713 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.017 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--O 1.236 0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.48 89.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.552 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -66.74 -39.05 87.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.791 0.329 . . . . 0.0 111.397 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.63 -30.25 64.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.3 114.33 3.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.456 ' HA ' HE21 ' A' ' 117' ' ' GLN . 1.7 mp -62.44 124.23 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.519 0.676 . . . . 0.0 111.682 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.63 173.97 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.047 176.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.467 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 14.0 tpt -66.27 -40.28 90.03 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.29 -50.21 67.84 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.418 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 113' ' ' ILE . 16.7 mt-30 -59.22 -64.64 0.87 Allowed 'General case' 0 C--O 1.201 -1.48 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.262 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.617 ' O ' ' HG2' ' A' ' 122' ' ' MET . 7.9 mmt -39.19 -53.12 1.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 16.2 mm-40 -60.05 -51.13 70.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.83 -26.51 59.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.337 0.589 . . . . 0.0 111.437 -177.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.8 -38.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.375 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' A' ' 118' ' ' MET . 32.8 mmt -63.32 -41.88 98.95 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -64.31 -38.79 92.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.587 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.54 80.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.266 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.27 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.081 0.467 . . . . 0.0 110.874 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.18 38.48 4.55 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.79 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -83.88 147.07 27.73 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.476 ' HB2' ' HE3' ' A' ' 128' ' ' LYS . 34.7 ttmt -104.07 125.64 50.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.056 0.455 . . . . 0.0 110.879 -175.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.71 144.69 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.026 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.15 -34.34 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.743 -178.296 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 121.589 0.709 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -112.03 149.34 32.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.721 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -130.81 121.14 24.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 131' ' ' LYS . 40.6 ttmt -122.61 119.85 32.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.772 0.32 . . . . 0.0 110.275 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 ttpt -101.49 121.82 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 5.4 p90 -107.33 147.01 30.83 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 26.3 t -147.13 114.68 6.36 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.997 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.35 120.13 35.12 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.315 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 16.8 p-10 -89.59 103.71 16.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.704 0.764 . . . . 0.0 109.967 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.13 93.0 5.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.134 -174.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.9 t30 59.46 66.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.337 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 17.78 78.7 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 113.234 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -134.57 104.27 6.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.2 mt-10 -91.84 99.6 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.459 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.505 HG12 HG23 ' A' ' 37' ' ' THR . 39.7 mt -91.13 108.45 19.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.454 -0.499 . . . . 0.0 109.758 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.04 108.57 16.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.987 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.591 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.6 mt -101.74 110.93 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.4 m -97.42 89.49 4.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.99 176.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.626 ' HE1' ' HE3' ' A' ' 115' ' ' MET . 18.0 p90 -91.47 126.6 36.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 111.277 -177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.89 121.1 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.263 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -129.8 154.62 47.05 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.35 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -134.34 104.17 6.03 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.37 -118.94 5.03 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.226 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -106.84 -1.77 22.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.567 0.698 . . . . 0.0 109.523 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HD2' HD22 ' A' ' 31' ' ' LEU . 2.8 tmtm? -92.99 111.57 23.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.149 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.5 124.49 37.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' HD2' ' A' ' 29' ' ' LYS . 85.2 mt -102.41 -41.62 6.26 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -170.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.5 127.65 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.517 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 44.9 tt0 -107.77 96.05 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.109 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 15.5 m -85.41 91.32 8.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.354 0.597 . . . . 0.0 109.877 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.471 ' HA ' HG12 ' A' ' 21' ' ' ILE . 34.6 t -97.37 101.05 12.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.838 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 37.3 mt-10 -101.31 108.59 20.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.945 0.402 . . . . 0.0 110.753 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 14.5 m -92.61 101.94 14.36 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 6.7 tppt? -82.07 101.61 10.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.82 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mt -102.31 115.61 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 -175.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.05 143.24 49.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.468 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.0 m-30 -64.48 -14.9 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.15 72.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.7 0.286 . . . . 0.0 111.422 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 m -85.28 -23.46 28.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.422 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' HA ' ' A' ' 41' ' ' PHE . 11.8 tt -99.79 -25.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.006 0.432 . . . . 0.0 111.255 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.68 34.07 14.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.758 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -102.51 147.02 27.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -102.61 -38.9 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.514 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -138.16 -179.45 5.79 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.654 0.264 . . . . 0.0 110.661 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.685 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 7.4 ptpp? -60.6 -33.57 72.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.953 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.08 -36.54 77.73 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.323 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -55.61 -48.38 75.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.854 0.835 . . . . 0.0 109.32 175.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.79 95.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.046 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.46 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -55.94 -23.19 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.357 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.5 m -98.02 -49.68 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.774 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 mt -93.13 -9.84 38.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.447 ' HA ' ' HG ' ' A' ' 60' ' ' SER . 47.7 mt-10 -71.39 -45.51 13.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 121.441 -0.787 . . . . 0.0 110.753 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -48.95 -31.94 21.68 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.163 1.909 . . . . 0.0 111.823 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -75.12 -46.64 33.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.447 ' HG ' ' HA ' ' A' ' 57' ' ' GLU . 3.9 p -66.62 -17.04 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.955 178.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.485 ' O ' ' HD2' ' A' ' 64' ' ' LYS . . . -72.0 1.02 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.824 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -88.73 -43.4 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 174.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.475 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 78.0 m-85 -90.95 3.19 55.31 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -174.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -59.38 105.5 0.35 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.045 0.926 . . . . 0.0 111.619 -171.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 50.3 65.16 1.52 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.782 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 30.1 mt -95.95 -77.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.52 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -121.85 -145.14 0.35 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.011 177.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.538 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . -75.94 48.96 2.44 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 171.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.13 101.63 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.56 0.695 . . . . 0.0 110.151 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.523 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.6 mt-10 -95.21 107.25 19.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.549 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' OE2' ' HB3' ' A' ' 60' ' ' SER . 77.4 tt0 -110.47 129.27 55.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.04 0.447 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 51.0 tptt -132.4 106.65 8.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.81 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -91.88 99.69 12.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.775 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.569 ' HG1' ' HB3' ' A' ' 81' ' ' GLN . 68.0 p -101.78 108.95 20.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.685 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -119.87 120.65 37.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.566 0.698 . . . . 0.0 112.231 -176.343 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 m -100.28 161.81 13.36 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -77.44 58.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.334 0.587 . . . . 0.0 110.812 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.522 HG22 ' CD2' ' A' ' 79' ' ' TYR . 5.2 t -171.58 -35.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 78' ' ' THR . 44.0 p90 -153.05 153.15 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.305 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.47 127.63 54.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.187 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HB3' ' HG1' ' A' ' 74' ' ' THR . 33.4 tt0 -98.81 108.77 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.139 0.495 . . . . 0.0 109.904 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 20.4 tt0 -83.76 84.93 7.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.933 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 22.3 t-20 -81.02 101.59 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.037 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' SER . 22.7 t -107.67 147.37 12.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 23.6 m -143.0 106.54 4.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.1 mt -98.11 108.8 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.008 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.538 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 8.7 t70 -74.42 122.01 22.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.522 ' HA ' HG22 ' A' ' 91' ' ' VAL . 52.3 mtt -91.54 22.67 3.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.045 -173.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.91 -19.88 10.78 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.467 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -114.13 -12.15 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -61.67 137.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.5 104.23 14.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.903 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 8.9 m-85 -63.22 -13.92 43.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.115 -173.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -64.19 -38.33 90.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 0.0 110.639 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.57 -28.68 20.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 109.832 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 10.0 tp -58.83 -30.03 67.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.61 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.56 -38.04 68.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.548 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.62 -18.48 63.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 -176.045 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.73 64.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.82 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.21 -37.18 83.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.721 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -78.64 -53.33 7.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.16 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.81 115.03 1.6 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.453 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.495 HG21 ' HE2' ' A' ' 88' ' ' MET . 1.7 mp -62.9 118.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.762 0.792 . . . . 0.0 110.802 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.85 172.51 10.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.365 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.626 ' HE3' ' HE1' ' A' ' 23' ' ' TYR . 13.3 tpt -67.29 -43.62 81.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.331 -173.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.04 71.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.687 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.32 -64.01 1.1 Allowed 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.47 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 mmt -44.57 -41.07 6.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.414 ' OE2' ' HE1' ' A' ' 115' ' ' MET . 61.4 mm-40 -61.72 -57.94 9.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -76.43 -27.3 56.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.364 0.602 . . . . 0.0 111.304 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 t -72.54 -46.9 53.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.501 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.692 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.45 -26.48 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 175.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.28 -35.41 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.492 174.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.69 -37.92 67.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.24 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.37 32.47 7.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.505 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.692 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.1 m-85 -90.0 139.21 30.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 110.314 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -99.17 127.39 45.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 123.28 32.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.365 0.602 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.55 -16.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.059 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 8' ' ' LYS . 44.8 mtpt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CD ' ' HH ' ' A' ' 25' ' ' TYR . 29.2 tt0 -130.21 145.53 51.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 t -96.74 129.14 44.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.126 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -113.73 99.21 7.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG3' ' OG1' ' A' ' 22' ' ' THR . 46.1 tttp -95.5 108.74 21.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.586 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.748 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -115.6 152.34 33.27 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 173.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -148.34 130.17 15.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.81 113.05 16.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -82.49 104.87 13.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.85 174.18 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -76.67 54.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.164 0.506 . . . . 0.0 110.892 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.51 -54.88 0.22 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.867 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 HG12 ' A' ' 39' ' ' ILE . 8.2 p -115.28 146.04 41.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 111.768 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 7.0 mt-10 -105.35 102.22 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.488 HG12 HG23 ' A' ' 37' ' ' THR . 50.4 mt -98.34 118.58 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.988 0.423 . . . . 0.0 111.544 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.47 106.97 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.338 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.748 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 57.5 mt -108.78 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.715 0.769 . . . . 0.0 110.344 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.468 ' OG1' ' HG3' ' A' ' 9' ' ' LYS . 7.2 m -103.9 94.52 5.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.314 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -103.7 128.0 51.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.409 0.624 . . . . 0.0 111.232 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.9 t -95.3 127.14 47.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.716 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' HH ' ' CD ' ' A' ' 6' ' ' GLU . 44.6 p90 -118.6 145.65 45.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.322 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -117.63 92.92 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.62 4.96 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.524 -176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -99.26 3.6 46.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.633 0.254 . . . . 0.0 111.255 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -121.72 133.34 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.242 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG21 ' HG3' ' A' ' 118' ' ' MET . 21.5 t -84.21 133.48 29.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 172.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -119.7 -20.07 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -171.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -146.94 117.06 7.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.995 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 58.3 tt0 -108.51 106.85 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.433 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 7.1 m -89.09 102.78 15.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 33.2 t -106.83 103.32 12.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -112.59 104.29 12.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.28 0.562 . . . . 0.0 109.73 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.488 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -102.04 110.47 22.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 71.5 tttt -87.68 108.8 19.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.076 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 HG12 HG22 ' A' ' 17' ' ' THR . 46.4 mt -100.45 122.9 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.3 147.88 37.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.9 m-30 -64.79 -23.84 67.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.86 88.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.812 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 p -84.55 -27.45 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.4 tt -83.05 -29.2 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.389 . . . . 0.0 110.826 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.16 32.68 8.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -114.46 148.29 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 m -105.59 -32.77 8.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -134.11 179.26 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 5.4 tmmm? -65.8 -35.46 80.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.66 -51.73 58.9 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.793 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.24 -41.24 90.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.01 92.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.607 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.23 76.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -62.82 -12.02 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.619 0.247 . . . . 0.0 111.577 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.3 m -99.26 -43.65 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 111.267 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.71 -33.83 17.4 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 71.5 mm-40 -55.5 -50.25 87.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -70.96 -11.84 29.82 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.931 1.754 . . . . 0.0 112.414 174.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.17 -41.24 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 13.0 p -70.81 -26.96 63.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.278 0.561 . . . . 0.0 109.919 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -67.96 -9.91 49.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.278 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.25 -30.99 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 110.219 175.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 37.8 m-85 -76.44 -57.94 3.57 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HB2' ' HZ1' ' A' ' 64' ' ' LYS . 6.1 mtmp? 65.26 -178.35 0.18 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.309 -174.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -86.53 71.59 10.39 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.456 0.646 . . . . 0.0 110.811 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.67 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.681 0.753 . . . . 0.0 110.079 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 90' ' ' LYS . . . -143.34 -89.32 0.13 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.754 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.62 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . -119.47 33.42 4.67 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.873 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.7 m -91.37 98.9 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.238 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -94.41 121.21 35.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.276 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -108.7 93.99 4.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.09 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 23.7 tptm -106.96 114.52 28.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.085 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 mt -97.74 110.01 22.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -101.89 112.0 24.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.139 0.495 . . . . 0.0 110.702 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -95.33 103.06 14.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.561 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.16 59.32 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.143 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.3 t70 76.83 -57.6 0.53 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.556 169.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -114.75 -14.52 11.99 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.136 0.493 . . . . 0.0 111.317 -172.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -146.44 152.53 39.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.09 121.8 42.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.544 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.482 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 43.7 tt0 -103.97 123.24 46.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.19 91.34 7.69 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 9.9 m120 -78.82 89.8 4.66 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 35' ' ' SER . 39.4 t -104.54 130.88 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -173.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.3 m -122.04 112.46 18.28 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -107.57 98.08 6.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.683 0.277 . . . . 0.0 111.161 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.62 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.0 m-20 -70.75 111.01 5.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.124 0.488 . . . . 0.0 110.033 172.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.518 ' HE3' ' HB2' ' A' ' 33' ' ' GLN . 52.1 mtt -84.31 11.4 8.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.788 -177.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.38 -13.27 58.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.935 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 38.4 ttmt -155.5 42.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.1 104.31 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.813 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -81.29 95.31 6.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 62.8 m-85 -69.36 -0.9 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.56 -176.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HZ1' ' HB3' ' A' ' 94' ' ' LYS . 8.0 mtpm? -87.62 -38.01 16.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.19 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.68 27.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.278 0.561 . . . . 0.0 109.695 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 7.4 tt -72.27 -7.2 48.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.678 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.89 -24.68 64.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.342 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.16 -1.69 78.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.177 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.454 HG13 ' HG ' ' A' ' 96' ' ' LEU . 10.8 pt . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 122.784 0.434 . . . . 0.0 109.873 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 111' ' ' LYS . 4.4 t70 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.97 0.414 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.57 -53.93 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -74.34 -4.64 37.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.617 0.722 . . . . 0.0 110.443 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 108' ' ' ASP . 59.4 tttt -82.77 -13.65 55.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.188 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.9 102.77 1.83 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.32 117.63 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.731 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 44.4 p -105.77 -178.46 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.988 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -42.92 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.99 69.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.791 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 8.3 mt-30 -65.02 -61.62 2.04 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.889 ' HA ' ' HE3' ' A' ' 118' ' ' MET . 8.4 mmt -42.16 -48.52 4.82 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -57.65 -61.52 2.45 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.56 -24.49 61.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.733 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 5.0 t -80.67 -40.44 19.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.928 -177.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.477 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -66.15 -35.26 79.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.319 0.581 . . . . 0.0 109.773 172.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.39 -31.0 65.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.848 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.23 -17.78 38.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.648 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 78.15 49.66 6.76 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.94 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.477 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 37.8 m-85 -78.75 177.54 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.987 0.423 . . . . 0.0 111.122 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -115.11 123.06 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.8 127.52 33.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.13 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.8 t -88.59 -44.8 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.648 175.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.17 -57.37 4.63 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 59.57 91.95 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.638 0.775 . . . . 0.0 111.223 172.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 51.2 pttt -73.88 117.92 16.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.319 0.581 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 4.5 pt-20 -89.71 111.02 21.88 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 169.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -104.63 145.23 30.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 -164.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m -96.13 126.25 41.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.522 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' HG3' ' HE3' ' A' ' 115' ' ' MET . 71.7 mmtt -112.92 114.48 26.99 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 131' ' ' LYS . 58.0 tttp -116.6 116.0 26.77 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.481 -171.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.632 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 13.1 p90 -109.54 160.8 15.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 20' ' ' ALA . 31.9 t -145.58 107.75 4.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.22 115.68 30.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.496 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -92.21 97.68 11.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -142.81 146.78 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.459 -174.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 66.93 1.75 2.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.094 0.473 . . . . 0.0 112.025 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 -3.39 57.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.303 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.458 HG21 ' HA ' ' A' ' 39' ' ' ILE . 3.6 p -108.07 128.83 55.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.535 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.0 mt-10 -94.38 94.58 8.35 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.471 HG12 HG23 ' A' ' 37' ' ' THR . 61.7 mt -93.9 107.09 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.928 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -118.8 107.02 13.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.168 0.509 . . . . 0.0 109.97 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 63.4 mt -96.73 116.84 39.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.794 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.51 HG21 ' HB2' ' A' ' 9' ' ' LYS . 2.1 m -98.9 89.42 4.3 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.477 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.489 ' CE2' ' HG2' ' A' ' 118' ' ' MET . 28.7 p90 -96.61 124.35 40.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.486 0.66 . . . . 0.0 111.009 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 123.23 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.124 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -117.02 150.61 38.33 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.724 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 72.5 tttt -132.29 113.29 13.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.8 -115.96 4.15 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.889 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.15 3.74 13.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.03 0.443 . . . . 0.0 110.332 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HD3' HD23 ' A' ' 31' ' ' LEU . 50.3 tttm -111.78 130.03 55.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.67 135.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD23 ' HD3' ' A' ' 29' ' ' LYS . 96.3 mt -120.58 -30.48 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -172.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.37 124.61 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.878 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 50.6 tt0 -108.36 99.83 9.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.607 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 32.3 t -85.51 96.03 9.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.53 ' HA ' HG12 ' A' ' 21' ' ' ILE . 19.3 m -97.44 92.91 6.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.376 0.607 . . . . 0.0 109.506 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.7 107.26 19.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.854 -174.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.471 HG23 HG12 ' A' ' 19' ' ' ILE . 60.3 m -107.2 108.74 20.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.222 -176.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 81.9 tttt -86.32 98.87 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.284 0.564 . . . . 0.0 110.295 177.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.458 ' HA ' HG21 ' A' ' 17' ' ' THR . 55.0 mt -88.9 134.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.97 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -97.35 148.19 23.41 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.515 ' HA ' HG21 ' A' ' 44' ' ' ILE . 7.3 m-85 -71.71 174.43 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.39 -57.2 0.58 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.591 0.557 . . . . 0.0 110.951 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -62.86 -37.03 85.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 111.046 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.677 HG23 ' H ' ' A' ' 46' ' ' ALA . 6.9 tt -73.23 -17.79 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.282 0.563 . . . . 0.0 110.636 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -1.62 60.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.75 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -99.63 133.67 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.245 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -101.08 -19.89 15.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.965 0.412 . . . . 0.0 110.521 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 ' H ' ' A' ' 51' ' ' ASP . 8.3 t -133.04 158.17 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.343 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 21.6 pttp -63.48 -29.53 70.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.411 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.94 -52.43 63.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.352 0.596 . . . . 0.0 110.245 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' H ' HG21 ' A' ' 48' ' ' THR . 16.3 t70 -64.19 -32.31 73.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.19 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.887 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -61.99 -39.79 93.41 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.252 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.13 -17.28 57.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.187 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -97.05 -35.15 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -83.8 -44.1 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 49.3 mt-10 -48.88 -54.55 26.84 Favored Pre-proline 0 N--CA 1.467 0.416 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 86.6 Cg_exo -43.83 -39.55 10.69 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.899 2.4 . . . . 0.0 113.502 175.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.0 -46.95 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.284 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -64.89 -27.79 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.093 0.473 . . . . 0.0 110.677 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.07 -8.48 56.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.974 ' HB3' HD13 ' A' ' 99' ' ' ILE . 79.6 mttt -69.03 -34.31 75.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.548 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.636 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.1 m-85 -66.47 -48.45 69.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 76.7 tttt 49.05 -93.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.082 0.864 . . . . 0.0 112.659 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.409 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 7.5 t-20 -147.71 42.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 0.0 110.195 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.659 HD12 HG13 ' A' ' 99' ' ' ILE . 58.6 mt -57.66 -43.24 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.684 0.754 . . . . 0.0 109.848 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -164.14 -149.59 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.212 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.06 54.1 3.05 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.433 -0.889 . . . . 0.0 110.947 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.2 m -96.07 102.77 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.455 0.645 . . . . 0.0 111.112 -175.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.749 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 36.3 mm-40 -93.68 130.84 39.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.464 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.2 101.9 8.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.191 0.52 . . . . 0.0 111.169 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.749 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.2 mptp? -104.9 97.94 7.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.063 -0.398 . . . . 0.0 110.999 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.37 98.99 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.95 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 72.9 p -101.74 109.16 20.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 13.5 p90 -143.35 131.94 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.351 0.596 . . . . 0.0 111.468 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -101.84 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.713 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -171.47 -33.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.563 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.4 m -87.46 -34.76 18.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 111.459 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -148.2 159.77 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.339 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.06 110.77 13.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.606 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -98.13 107.21 19.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -177.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.68 92.89 9.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.475 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.76 106.57 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' HB ' ' HB2' ' A' ' 35' ' ' SER . 53.6 t -103.61 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.272 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 34.5 m -135.35 101.78 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.957 0.408 . . . . 0.0 109.997 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 68.2 mt -95.26 114.65 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.326 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 91' ' ' VAL . 22.5 t70 -83.74 119.79 25.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.55 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.523 ' HE3' ' HB2' ' A' ' 33' ' ' GLN . 51.3 mtt -91.9 21.37 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.929 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -109.86 1.95 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.271 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -147.45 15.52 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.252 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -65.13 134.62 29.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.025 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -101.77 108.92 20.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.768 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.527 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 61.3 m-85 -80.79 -8.91 59.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.508 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.03 -57.97 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.64 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' O ' HG12 ' A' ' 99' ' ' ILE . . . -71.95 -35.49 69.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.038 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.86 -31.3 59.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.774 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 27.2 mm-40 -64.64 -20.68 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.37 5.59 33.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.955 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.974 HD13 ' HB3' ' A' ' 62' ' ' LYS . 32.3 mm -106.63 -80.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.085 0.469 . . . . 0.0 110.387 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 m -88.63 -26.16 22.04 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.989 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.44 -71.03 2.34 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.553 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.2 mt 56.16 39.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.126 0.965 . . . . 0.0 109.317 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.72 31.83 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.274 -174.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.63 -42.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.9 t -141.08 120.79 13.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.063 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.87 68.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.05 -33.96 74.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.0 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.542 ' HA ' ' NE2' ' A' ' 117' ' ' GLN . 20.2 t0 -77.93 -56.16 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.837 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.54 71.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -173.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.81 -36.71 17.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -92.12 -10.19 39.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.527 ' HA2' ' CZ ' ' A' ' 93' ' ' PHE . . . 112.02 121.01 3.93 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.501 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.8 mm -62.54 121.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.158 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -115.81 155.46 27.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.474 ' HE3' ' HG3' ' A' ' 8' ' ' LYS . 15.1 tpt -60.41 -41.93 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 118.07 0.396 . . . . 0.0 111.126 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.9 79.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.235 0.541 . . . . 0.0 110.506 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 108' ' ' ASP . 13.2 mt-30 -68.67 -67.25 0.48 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.674 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.489 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -43.18 -44.9 5.36 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.456 . . . . 0.0 112.139 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 2.4 mm-40 -59.15 -65.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.82 -30.21 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.395 0.617 . . . . 0.0 111.404 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 t -79.29 -38.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.449 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 18.2 mmt -74.63 -29.74 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.633 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.1 mptt -69.21 -36.18 76.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 172.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.66 -29.9 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.656 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.32 -13.32 61.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.155 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.4 27.22 64.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.58 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -92.76 153.33 18.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.647 0.26 . . . . 0.0 110.337 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -103.34 122.13 44.18 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 110.478 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 6.8 pt-20 -82.15 137.52 34.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.1 0.85 10.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.492 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 49.4 mttp 61.0 -89.99 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.627 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 131' ' ' LYS . 40.3 mt -155.97 14.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 166.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.83 136.6 50.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.979 -169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -121.75 -17.09 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.063 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -97.89 26.22 5.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.708 0.766 . . . . 0.0 109.307 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -66.13 -25.06 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.771 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -79.47 93.01 5.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.033 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.13 -57.12 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.818 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.244 0.781 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.72 44.46 2.96 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.647 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -132.31 -34.74 1.21 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.102 0.477 . . . . 0.0 109.885 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -89.43 -20.23 24.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' CD ' ' HD1' ' A' ' 138' ' ' HIS . 27.5 tt0 179.86 142.84 0.15 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 171.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.85 151.32 37.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.2 p -137.27 135.89 37.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 0.0 111.165 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.921 ' HE2' ' HG2' ' A' ' 129' ' ' GLU . 14.2 tttt -134.14 98.06 4.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.068 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.1 ttmm -89.17 118.01 28.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.5 p90 -105.12 144.95 31.21 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.608 ' OG ' HG21 ' A' ' 130' ' ' VAL . 22.5 p -135.48 116.77 14.56 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.907 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.64 128.19 32.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 111.703 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 18.7 t-20 -88.11 99.81 12.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 84.85 4.65 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.297 177.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 74.56 -56.47 0.64 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.241 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.6 -34.65 0.12 Allowed Glycine 0 C--N 1.312 -0.799 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.768 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 123.69 39.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.633 0.254 . . . . 0.0 111.129 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 1.9 mt-10 -97.24 96.51 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 37' ' ' THR . 57.9 mt -93.07 121.33 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.197 0.523 . . . . 0.0 110.891 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -116.55 103.63 10.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.262 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.755 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -101.17 124.41 54.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.155 0.502 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.2 m -108.56 105.85 15.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.963 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 7' ' ' SER . 50.3 m-85 -83.29 105.79 14.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.618 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -92.1 98.4 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.644 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 28.4 p90 -125.69 162.4 25.11 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.029 -172.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -141.31 116.91 10.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.8 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.3 -116.06 4.15 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -171.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -115.21 -12.24 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.761 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -93.99 123.06 37.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.048 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.644 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 19.2 t -74.44 124.23 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 169.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.7 -36.18 9.21 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.319 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -134.91 116.94 15.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 0.0 109.848 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -110.63 111.2 22.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.809 -176.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.477 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 34.7 t -92.06 94.32 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 9.2 m -97.35 101.86 13.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 22.8 mt-10 -108.1 107.54 18.24 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.386 -171.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 11.0 m -87.18 107.94 18.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.142 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HG2' ' NE2' ' A' ' 40' ' ' GLN . 51.6 tttm -82.73 93.83 7.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.604 0.716 . . . . 0.0 109.83 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.6 mt -90.17 119.37 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.341 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.542 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 20.7 mm-40 -88.5 154.6 20.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -61.43 -31.31 71.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.632 0.253 . . . . 0.0 111.543 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.01 -18.67 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.874 0.369 . . . . 0.0 110.984 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -83.16 -37.51 23.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.986 0.422 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 tt -87.25 -32.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.151 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.32 33.8 8.48 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.723 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . . . -104.09 144.95 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.188 . . . . 0.0 110.626 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.35 -50.27 7.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.343 0.592 . . . . 0.0 110.391 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.2 p -127.89 176.0 7.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.01 -20.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.95 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.46 -51.42 63.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 9.1 m-20 -59.93 -41.25 91.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.333 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.93 51.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.324 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.4 -44.54 96.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.16 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -61.64 -17.3 54.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 m -95.73 -36.76 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.249 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.01 -36.38 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 33.1 mt-10 -51.84 -45.71 92.25 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 80.4 Cg_exo -41.38 -40.82 4.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.22 2.613 . . . . 0.0 114.08 172.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.33 -41.26 73.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.628 0.251 . . . . 0.0 111.24 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -60.99 -20.59 62.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 111.603 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.36 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.776 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.8 -34.45 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.938 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 95.0 m-85 -75.83 -20.74 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.492 -170.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 71.4 mmtt -78.63 22.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.082 0.468 . . . . 0.0 111.757 -175.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -135.19 5.99 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.437 0.637 . . . . 0.0 109.308 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -126.02 93.56 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.177 -172.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB2' ' HD3' ' A' ' 90' ' ' LYS . . . 47.9 -146.06 0.28 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.672 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.89 29.5 7.94 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 86' ' ' ILE . 16.9 t -85.44 111.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.95 143.33 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.066 0.46 . . . . 0.0 111.406 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.513 ' HG3' HG23 ' A' ' 84' ' ' VAL . 40.9 tt0 -107.43 107.21 17.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.272 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -100.15 107.6 19.52 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.639 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 85.6 mt -84.44 124.75 31.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.1 p -119.53 121.04 38.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.447 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 44.3 m-85 -114.06 128.85 56.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 -175.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 m -108.59 -79.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.63 -67.7 0.25 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -100.56 0.55 39.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.572 . . . . 0.0 110.998 -174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -149.96 157.14 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.64 130.87 38.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.603 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 23.3 mt-30 -99.33 119.3 37.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.367 0.603 . . . . 0.0 110.94 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 25.0 tt0 -85.8 88.33 7.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.264 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.0 t-20 -84.13 95.63 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.258 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.513 HG23 ' HG3' ' A' ' 71' ' ' GLU . 48.9 t -96.57 101.56 12.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.142 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.0 m -91.17 106.07 18.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.561 ' HA ' HG11 ' A' ' 69' ' ' VAL . 43.8 mt -99.39 124.2 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 -178.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 11.3 t70 -91.37 113.99 26.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.489 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.8 mmt -90.2 6.41 42.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.498 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 25.5 mm-40 -84.29 -2.41 56.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.254 0.55 . . . . 0.0 109.715 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' HD3' ' HB2' ' A' ' 67' ' ' ALA . 56.9 tttt -150.58 -62.05 0.19 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.271 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER 51.77 -167.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.319 -166.219 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.588 ' H ' HG12 ' A' ' 91' ' ' VAL . 14.6 t70 -144.47 95.16 2.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 159.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -69.78 -10.21 57.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.217 -170.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -86.24 -51.61 6.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.84 -10.97 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 110.454 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 18.4 tp -61.42 -17.56 54.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.676 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -62.66 -23.23 66.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.27 55.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.144 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.2 pt -133.35 15.95 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.958 0.409 . . . . 0.0 111.363 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -81.36 90.13 6.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.401 0.619 . . . . 0.0 111.218 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.01 14.12 57.91 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.161 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mt -76.11 100.4 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -82.99 54.16 2.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.587 0.708 . . . . 0.0 110.96 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.88 -72.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.3 p -156.65 120.39 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.404 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 110' ' ' LYS . . . -71.88 -3.68 23.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.516 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.3 -32.19 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.038 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.22 -41.26 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.68 0.752 . . . . 0.0 109.363 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 113' ' ' ILE . . . -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.511 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 44.1 mmtm -96.59 -33.91 11.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.338 0.589 . . . . 0.0 110.47 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.2 -30.75 34.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.747 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 142.08 108.01 0.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.152 -1.023 . . . . 0.0 112.732 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.498 HD11 ' HE2' ' A' ' 118' ' ' MET . 46.0 mm -76.0 112.77 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.001 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.646 ' HG1' ' NE2' ' A' ' 117' ' ' GLN . 81.3 p -127.94 179.05 5.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.4 tpt -71.69 -39.37 70.27 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.664 -0.415 . . . . 0.0 109.976 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.12 73.91 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.027 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.646 ' NE2' ' HG1' ' A' ' 114' ' ' THR . 1.1 mp0 -59.35 -66.51 0.5 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.479 174.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.498 ' HE2' HD11 ' A' ' 113' ' ' ILE . 23.1 mmt -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.36 -66.38 0.47 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.648 0.261 . . . . 0.0 111.352 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.14 -35.37 80.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.263 0.554 . . . . 0.0 111.215 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.5 t -70.7 -44.32 76.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.514 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.658 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -76.08 -30.48 58.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.686 0.279 . . . . 0.0 111.276 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.89 -19.55 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.64 47.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.203 0.525 . . . . 0.0 110.082 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.51 -17.95 57.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.55 38.83 6.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.414 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.658 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.9 m-85 -101.69 159.23 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -125.28 136.79 53.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.921 ' HG2' ' HE2' ' A' ' 8' ' ' LYS . 2.8 mp0 -69.66 139.22 53.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.578 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.608 HG21 ' OG ' ' A' ' 11' ' ' SER . 45.3 t -118.26 -23.79 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.407 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 51.5 mmtt 69.41 -171.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.325 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.68 105.89 15.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.27 0.557 . . . . 0.0 110.901 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.38 -26.37 42.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.438 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -86.28 45.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.598 -172.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 66.53 -83.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.894 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -148.59 162.15 40.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -142.46 28.12 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.108 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.409 ' HD1' ' CD ' ' A' ' 5' ' ' GLU . 6.4 t-80 -170.42 -65.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.2 m80 . . . . . 0 C--O 1.242 0.691 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.747 174.199 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.87 79.46 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.309 -175.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -113.38 -34.39 5.63 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.956 0.502 . . . . 0.0 110.607 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 60.2 mttm -78.95 -54.44 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.273 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 35.0 tt0 -137.71 150.29 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.503 -176.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.512 ' HG2' ' HH ' ' A' ' 25' ' ' TYR . 3.8 tp10 -146.02 141.29 27.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.2 m -116.42 129.8 56.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.373 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 11.1 mmtp -113.19 95.14 5.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.432 175.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.54 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 65.6 tttt -90.4 124.17 34.72 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.0 p90 -121.69 157.38 31.02 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 130' ' ' VAL . 6.8 m -147.66 115.07 6.29 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.538 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 124.81 35.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.99 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.535 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 43.0 t-20 -92.65 108.38 19.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.12 43.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 110.787 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 77.13 -56.42 0.53 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.018 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.8 -37.28 9.52 Favored Glycine 0 C--N 1.313 -0.708 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.826 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -136.57 139.56 42.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.776 0.322 . . . . 0.0 111.278 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.8 mt-10 -102.47 97.37 7.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.412 HG12 HG23 ' A' ' 37' ' ' THR . 54.0 mt -95.63 115.26 34.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.012 0.434 . . . . 0.0 111.128 -172.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB3' ' OG ' ' A' ' 11' ' ' SER . . . -120.11 111.56 18.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.86 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 35' ' ' SER . 57.9 mt -113.36 128.78 70.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.029 -175.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 26.1 m -99.67 103.47 15.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 174.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 7' ' ' SER . 84.8 m-85 -82.82 102.34 11.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.645 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.41 98.57 8.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HH ' ' HG2' ' A' ' 6' ' ' GLU . 45.9 p90 -109.55 144.14 38.24 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.482 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' ' 5' ' ' GLU . 32.1 ttmt -143.36 116.45 8.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.388 -173.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.23 4.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.058 -1.067 . . . . 0.0 110.537 -168.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -108.61 -30.61 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 110.684 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.535 ' HD2' HD23 ' A' ' 31' ' ' LEU . 25.8 ttmt -90.07 145.96 24.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.268 -172.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 25' ' ' TYR . 39.3 t -80.12 94.28 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 167.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 29' ' ' LYS . 67.6 mt -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -168.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -135.94 118.31 15.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.319 0.581 . . . . 0.0 110.618 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.41 103.87 13.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 26.1 m -87.72 90.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.045 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.537 ' HA ' HG12 ' A' ' 21' ' ' ILE . 5.8 m -97.6 97.51 9.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.264 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.06 109.27 21.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.128 0.489 . . . . 0.0 110.244 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.412 HG23 HG12 ' A' ' 19' ' ' ILE . 85.8 m -95.51 110.44 22.51 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.446 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 28.4 tttm -82.4 104.05 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 109.752 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.2 mt -99.53 127.56 52.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.391 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -85.49 149.73 25.19 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 44' ' ' ILE . 3.6 m-30 -64.92 -15.1 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.44 60.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.682 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -94.05 -30.79 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.548 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 41' ' ' PHE . 10.1 tt -79.93 -30.48 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.53 36.7 13.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.981 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.01 146.77 33.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.49 -44.98 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.353 . . . . 0.0 111.525 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -128.41 175.56 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.216 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.68 -20.73 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.047 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.07 -48.52 73.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.48 -42.37 87.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.018 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.52 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.162 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.999 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -66.3 -13.01 59.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.4 m -99.39 -48.11 4.91 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 98.8 mt -93.38 -36.31 12.57 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -166.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 31.5 mt-10 -47.37 -50.14 50.23 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 14.9 Cg_endo -60.58 -12.78 22.47 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.228 1.952 . . . . 0.0 113.627 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.19 -42.39 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.755 0.312 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 m -61.31 -22.18 64.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.852 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -24.73 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.544 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -64.96 -27.42 68.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 111.009 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.619 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 58.1 m-85 -69.85 -33.93 72.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.248 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -77.58 12.66 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.072 0.463 . . . . 0.0 111.399 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -108.04 -8.75 15.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.445 0.64 . . . . 0.0 109.458 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -98.19 -71.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.576 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB3' HG22 ' A' ' 69' ' ' VAL . . . -169.25 -146.12 0.06 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.906 -174.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.18 13.53 3.43 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.619 ' O ' ' HB3' ' A' ' 63' ' ' TYR . 2.8 t -82.04 104.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -132.32 158.22 42.45 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.254 0.55 . . . . 0.0 111.474 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 84' ' ' VAL . 39.4 tt0 -125.67 130.93 52.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.054 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -120.58 112.62 19.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.152 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.554 HD11 ' HH ' ' A' ' 75' ' ' TYR . 88.3 mt -93.66 102.27 14.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.929 -178.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.59 ' HG1' ' HB2' ' A' ' 81' ' ' GLN . 25.6 p -101.73 121.14 41.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.213 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.554 ' HH ' HD11 ' A' ' 73' ' ' LEU . 39.8 m-85 -106.73 137.5 44.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.663 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -104.47 -83.8 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.0 -59.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -92.0 -17.56 24.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.659 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -145.53 164.11 32.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.051 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.31 48.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.59 ' HB2' ' HG1' ' A' ' 74' ' ' THR . 21.7 mt-30 -99.57 113.62 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.39 85.58 6.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.92 102.95 8.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.083 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 71' ' ' GLU . 50.4 t -106.99 106.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.235 -176.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.7 m -97.83 104.58 16.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.274 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.54 ' HA ' HG13 ' A' ' 69' ' ' VAL . 46.9 mt -97.79 122.83 49.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.74 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.448 ' O ' HG11 ' A' ' 91' ' ' VAL . 23.3 t70 -98.31 115.39 28.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.4 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.437 ' HA ' HG21 ' A' ' 91' ' ' VAL . 24.3 mmt -93.83 13.13 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.292 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -89.68 -3.75 58.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.5 0.667 . . . . 0.0 109.505 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 84.9 tttt -143.3 -66.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.619 175.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.448 HG11 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 39.38 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.249 1.02 . . . . 0.0 113.524 -174.296 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 21.0 t70 -159.95 101.17 1.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.623 167.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -71.83 -3.64 23.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.83 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -85.73 -58.78 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.62 62.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.591 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 8.5 tp -55.8 -33.23 64.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.215 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.78 -36.3 47.05 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.769 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.14 86.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.542 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.4 22.12 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.165 0.482 . . . . 0.0 112.248 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.4 m -76.46 103.29 6.39 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.337 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.5 -12.01 80.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.287 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.548 HD11 ' HE2' ' A' ' 118' ' ' MET . 4.7 mt -81.4 58.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 109.974 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -83.51 71.04 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.636 0.731 . . . . 0.0 110.916 -175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -107.76 -41.09 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 170.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.7 p -164.85 120.29 1.4 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.007 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.27 65.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.258 0.551 . . . . 0.0 111.098 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -76.73 -25.85 53.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.382 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.596 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 9.2 t70 -69.47 -37.96 77.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 0.0 110.376 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -66.73 -15.53 63.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.099 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -87.63 -16.04 35.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.376 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' A' ' 108' ' ' ASP . 80.8 mttt -78.04 -39.83 40.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.365 0.602 . . . . 0.0 110.314 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 104.52 1.55 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 109' ' ' ALA . 45.1 mm -75.08 105.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.548 0.69 . . . . 0.0 111.846 -172.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 43.1 p -117.38 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.834 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.407 ' HE2' ' OE2' ' A' ' 119' ' ' GLU . 13.8 tpt -75.29 -35.22 61.33 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.32 -44.95 72.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.302 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.426 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.6 mp0 -58.95 -66.19 0.54 Allowed 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 176.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.548 ' HE2' HD11 ' A' ' 102' ' ' ILE . 25.9 mmt -50.27 -43.35 53.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' OE2' ' HE2' ' A' ' 115' ' ' MET . 26.6 mm-40 -56.52 -60.42 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 111.452 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.56 -35.74 77.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.219 0.533 . . . . 0.0 111.201 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.7 t -73.17 -43.46 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.933 -174.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.71 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -72.3 -31.64 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.743 0.306 . . . . 0.0 111.082 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.52 -16.12 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.85 48.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.116 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.58 -19.79 30.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.6 28.05 9.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.645 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.71 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 22.6 m-85 -86.38 148.71 25.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.407 ' HB3' ' HE3' ' A' ' 128' ' ' LYS . 23.2 ttpp -120.43 142.59 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -61.76 159.13 14.2 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.855 0.836 . . . . 0.0 112.209 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 11' ' ' SER . 41.7 t -139.84 -44.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.402 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.434 ' CA ' ' HB3' ' A' ' 9' ' ' LYS . 52.1 mttt 61.19 -177.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.77 -175.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.54 ' HG ' ' HD2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -109.51 89.26 2.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.419 -173.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -87.72 -23.67 24.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.193 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -85.71 83.77 7.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.833 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 68.13 165.58 0.24 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.415 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -86.69 154.51 20.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.498 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -134.64 -81.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.187 -173.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -69.97 -31.46 69.19 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.61 0.719 . . . . 0.0 109.836 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.8 m80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.277 -1.344 . . . . 0.0 107.89 176.789 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.967 0.413 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.33 -43.9 1.94 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -169.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.95 153.08 38.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 170.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 96.9 mttt -87.38 86.07 7.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.129 0.49 . . . . 0.0 111.986 -173.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.44 110.71 19.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.487 171.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -98.32 125.16 43.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.503 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 p -101.17 139.01 37.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.11 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 22' ' ' THR . 16.4 mmtp -136.06 111.23 8.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 172.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD2' HD12 ' A' ' 132' ' ' LEU . 35.1 tttp -110.13 115.72 30.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.248 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.674 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.0 p90 -116.04 165.05 13.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 32.2 t -156.4 119.27 4.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.143 0.497 . . . . 0.0 110.57 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.31 110.33 21.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.026 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.28 89.03 7.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.508 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 14' ' ' LEU . 3.2 pp -134.32 147.27 50.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.041 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t30 71.35 -14.2 0.49 Allowed 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.533 0.521 . . . . 0.0 112.234 173.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 110.06 6.34 28.05 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -172.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 HG13 ' A' ' 39' ' ' ILE . 5.3 p -115.95 121.37 42.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.553 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.6 mt-10 -88.34 98.55 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 11' ' ' SER . 57.0 mt -92.41 92.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.04 0.447 . . . . 0.0 110.21 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -103.57 115.73 31.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.518 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.674 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.3 mt -118.3 126.41 75.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.25 -176.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 6.3 m -115.66 96.59 5.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.697 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.797 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 14.5 p90 -92.41 130.36 38.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.266 0.555 . . . . 0.0 110.637 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.95 126.72 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.766 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -132.97 156.22 47.7 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.773 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 57.0 mttp -118.03 99.05 6.65 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 171.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.45 -116.13 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.446 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.683 ' HA ' ' HB2' ' A' ' 115' ' ' MET . 32.4 t70 -99.55 -2.09 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -98.33 101.97 13.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.692 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -78.34 115.95 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.55 -31.77 13.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 13.7 ptpt -160.58 164.13 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.797 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 25.7 tt0 -144.34 112.14 6.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.222 -171.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -85.69 100.42 11.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 m -110.55 104.45 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -110.17 108.12 18.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.936 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.484 HG23 HG12 ' A' ' 19' ' ' ILE . 65.4 m -92.75 115.4 28.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.1 ttmt -96.92 110.06 22.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG13 HG22 ' A' ' 17' ' ' THR . 4.6 mp -95.52 120.38 44.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.343 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 29.8 mm-40 -73.16 147.65 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -62.46 -29.64 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.956 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.27 -13.29 59.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.405 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -85.94 -37.12 19.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.219 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 tt -90.86 -29.31 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.802 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.85 34.26 11.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.688 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.56 172.01 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.359 . . . . 0.0 110.602 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -119.14 -53.31 2.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -118.03 176.29 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.269 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -67.79 -23.45 65.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.913 0.387 . . . . 0.0 110.008 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.2 mm-40 -67.84 -59.25 3.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.801 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.51 -16.0 61.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.07 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.216 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.15 86.52 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.619 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 64.0 mttm -66.36 -8.27 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.729 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -98.18 -34.36 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.654 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.58 -25.48 24.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.019 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -48.28 -54.39 25.89 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.473 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.08 -19.03 51.77 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.017 1.811 . . . . 0.0 112.861 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.32 -48.78 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 m -64.09 -29.36 70.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.361 0.6 . . . . 0.0 110.242 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -69.21 2.24 3.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.159 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.733 ' HB3' HG12 ' A' ' 99' ' ' ILE . 67.5 mttm -75.55 -31.0 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.044 -0.41 . . . . 0.0 110.631 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.634 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.7 m-85 -75.32 -56.74 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 31.6 mtmt 65.16 -93.07 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.742 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -149.38 40.14 0.84 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.276 0.56 . . . . 0.0 109.835 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.634 HG13 ' O ' ' A' ' 63' ' ' TYR . 68.0 mt -53.49 -42.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.629 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -168.8 -145.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.055 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.48 45.36 2.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.874 171.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.631 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.1 m -93.91 111.37 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.316 0.579 . . . . 0.0 110.327 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.01 109.53 21.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.911 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.04 97.82 10.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.072 0.939 . . . . 0.0 109.621 175.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 66.3 mttm -101.8 104.85 15.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.861 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.95 106.19 16.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.478 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 2.5 p -106.69 125.97 51.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -112.54 117.06 31.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.012 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -85.82 -65.92 0.96 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.437 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 t70 178.09 -53.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.43 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.3 m -93.01 -11.84 32.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.381 0.61 . . . . 0.0 111.259 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -152.6 161.79 42.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 111.343 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.42 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.053 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 41.7 mt-30 -104.6 111.67 24.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.77 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.22 90.36 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.457 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 49.5 t-20 -82.88 101.02 10.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.77 105.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.413 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.6 m -93.61 103.31 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HA ' HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.06 141.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -175.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.632 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 13.7 t70 -110.97 127.54 55.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.74 -3.03 59.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.501 -171.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.59 -45.9 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.98 0.419 . . . . 0.0 111.008 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -102.27 1.32 35.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 5.8 p -71.88 156.86 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.132 0.491 . . . . 0.0 111.041 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 24.9 t70 -123.24 117.86 26.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.39 -19.53 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.933 0.396 . . . . 0.0 111.055 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.634 ' HZ2' ' HB3' ' A' ' 94' ' ' LYS . 6.1 ttpm? -65.02 -36.28 83.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.779 173.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.37 -24.32 59.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 99' ' ' ILE . 71.6 mt -83.58 0.53 46.29 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.415 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -52.66 -51.92 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.023 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.11 17.68 58.84 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.733 HG12 ' HB3' ' A' ' 62' ' ' LYS . 54.9 mt -111.94 -40.44 3.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.493 . . . . 0.0 110.903 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -72.51 91.87 1.43 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.718 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.72 0.7 89.25 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 173.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.21 129.67 29.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.034 -0.583 . . . . 0.0 110.131 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.438 ' C ' HD21 ' A' ' 103' ' ' ASN . 0.2 OUTLIER -75.81 96.52 3.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.549 HG22 ' H ' ' A' ' 105' ' ' SER . 9.2 p -129.8 170.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 -169.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.549 ' H ' HG22 ' A' ' 104' ' ' VAL . 26.8 t -82.11 150.18 27.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.271 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.75 80.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.207 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.36 10.31 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.0 110.972 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.641 ' OD2' ' HB3' ' A' ' 117' ' ' GLN . 11.0 t70 -91.53 -64.53 1.11 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.148 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.11 -33.34 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.877 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.69 -33.98 71.49 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -99.19 -22.79 15.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 133.44 132.53 3.27 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.293 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.54 109.76 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.9 p -114.3 -179.47 3.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.812 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.683 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -66.61 -41.64 88.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.104 -177.361 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.87 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.452 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.641 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -57.35 -63.59 1.17 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.381 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 122' ' ' MET . 29.8 tpp -47.06 -45.99 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.623 0.577 . . . . 0.0 112.368 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 20.3 mm-40 -62.36 -62.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.33 . . . . 0.0 111.768 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.38 -34.31 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.185 0.517 . . . . 0.0 111.231 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.581 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.1 t -76.59 -41.53 34.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.162 -175.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.543 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.76 -33.64 71.0 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.988 -0.445 . . . . 0.0 111.212 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 13.5 mptt -73.51 -25.06 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.103 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 121' ' ' VAL . . . -67.77 -48.03 67.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.377 175.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.85 76.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.152 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 106.33 33.41 3.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.835 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.543 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 25.4 m-85 -92.03 128.01 37.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -102.31 139.24 38.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.353 . . . . 0.0 110.25 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 51.3 mt-10 -82.23 148.69 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.381 0.61 . . . . 0.0 112.027 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.5 t -93.99 -24.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 69.31 97.11 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.349 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.504 HD12 ' HD2' ' A' ' 9' ' ' LYS . 5.5 tt -102.11 102.85 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.739 -177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.46 -100.73 0.28 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -153.64 -71.72 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.403 ' H ' ' H ' ' A' ' 136' ' ' HIS . 6.3 t-80 178.06 13.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.009 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.403 ' H ' ' H ' ' A' ' 135' ' ' HIS . 1.9 t60 49.42 81.35 0.06 Allowed 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.512 1.125 . . . . 0.0 112.968 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.71 86.61 7.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.95 -31.05 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.31 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.662 -0.685 . . . . 0.0 109.513 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.878 0.371 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.41 123.16 1.57 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.841 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.1 -41.11 74.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -118.44 147.28 43.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.827 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -97.03 178.74 5.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 mp0 -102.92 130.79 50.1 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.325 -171.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -121.46 116.92 25.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.009 0.433 . . . . 0.0 111.011 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -114.45 101.51 9.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.051 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -99.31 113.12 25.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.601 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 5.2 p90 -112.84 161.22 17.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.55 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 32.1 t -155.65 124.81 6.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.046 0.45 . . . . 0.0 110.39 176.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.79 141.83 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.908 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 15.1 t-20 -98.7 98.29 9.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 14' ' ' LEU . 3.1 pp -133.75 142.5 47.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.523 -176.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 t30 63.76 16.97 10.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.578 0.704 . . . . 0.0 110.074 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.22 5.04 89.34 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.271 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.509 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.7 p -114.06 138.31 50.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.747 0.308 . . . . 0.0 111.296 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.527 ' OE2' ' HD2' ' A' ' 38' ' ' LYS . 4.8 mt-10 -93.44 97.59 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.516 HG12 HG21 ' A' ' 37' ' ' THR . 23.1 mt -93.32 106.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 121.144 0.497 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -114.63 110.77 20.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.003 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.68 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 65.0 mt -108.55 124.96 65.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.153 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -101.19 101.72 12.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.861 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -82.07 109.64 16.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 50.8 t -93.71 104.49 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 38.3 p90 -124.34 164.22 20.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.5 115.71 12.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.759 175.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.53 -115.91 5.23 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 110.622 -172.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -113.67 7.55 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.527 0.679 . . . . 0.0 109.363 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -98.29 107.94 20.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.312 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 20.1 t -76.9 113.61 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.0 -39.33 11.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.328 -172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 67.4 mttm -132.18 122.97 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.029 0.443 . . . . 0.0 110.799 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -107.55 96.05 6.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.473 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 50.9 m -85.52 97.76 10.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 109.874 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.535 ' HA ' HG12 ' A' ' 21' ' ' ILE . 16.6 m -97.38 100.32 11.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.048 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.62 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.9 mt-10 -98.74 108.67 21.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.198 0.523 . . . . 0.0 110.323 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.516 HG21 HG12 ' A' ' 19' ' ' ILE . 24.2 m -99.38 104.72 16.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.618 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HD2' ' OE2' ' A' ' 18' ' ' GLU . 33.4 ttmt -87.29 106.02 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -104.55 110.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.001 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.16 151.92 46.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.966 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -66.42 -29.84 70.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -20.03 61.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -88.79 -33.97 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 tt -84.66 -31.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.9 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.54 37.77 7.94 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.2 160.79 14.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.752 0.31 . . . . 0.0 111.212 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 m -97.2 -67.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -121.63 -178.36 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.128 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -69.55 -32.08 70.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.185 -175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.2 mp0 -67.97 -44.03 77.63 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.96 -41.65 87.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.66 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.23 87.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.281 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.66 -45.53 93.62 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.85 -12.33 24.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.458 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.7 m -99.03 -45.71 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.343 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 86.5 mt -86.13 -21.49 27.56 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.537 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 36.0 mt-10 -60.6 -52.72 70.69 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.332 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 50.0 Cg_exo -51.18 -33.53 44.64 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.598 2.199 . . . . 0.0 112.612 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 37.6 tp -65.12 -61.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.099 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m -64.06 -20.93 66.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.932 0.396 . . . . 0.0 111.172 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -1.86 7.17 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.115 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -59.12 -44.04 92.0 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.645 0.259 . . . . 0.0 110.785 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.55 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.2 m-85 -64.19 -51.71 62.45 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.257 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttp 70.57 -80.43 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.601 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -157.23 44.04 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.9 mt -56.2 -42.37 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.436 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 90' ' ' LYS . . . -167.36 -147.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.828 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.9 53.42 2.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.719 HG12 ' HA ' ' A' ' 86' ' ' ILE . 22.5 m -98.4 122.55 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.133 0.492 . . . . 0.0 109.92 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' HG2' ' HB ' ' A' ' 85' ' ' THR . 14.6 pt-20 -116.84 116.19 26.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.563 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.84 99.18 9.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.987 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -101.58 106.99 18.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 86.9 mt -87.07 114.42 23.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.97 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 46.6 p -101.27 118.77 37.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 97.7 m-85 -110.94 102.06 10.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 m -77.19 -66.75 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 177.06 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 p -90.14 -15.23 31.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.088 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -150.61 158.1 43.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.207 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.14 127.9 45.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.563 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.519 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 51.7 tt0 -113.32 124.33 52.23 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.329 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 32.3 mt-10 -84.04 92.66 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -80.37 89.99 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' GLU . 36.9 t -102.89 140.14 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.218 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 64.7 m -130.28 105.45 7.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.931 0.396 . . . . 0.0 110.054 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.719 ' HA ' HG12 ' A' ' 69' ' ' VAL . 55.9 mt -95.25 111.66 26.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.251 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.531 ' OD2' ' HG3' ' A' ' 90' ' ' LYS . 20.4 t70 -82.35 117.73 22.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.419 ' SD ' HG13 ' A' ' 91' ' ' VAL . 24.6 mmt -87.35 -2.91 58.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.729 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.22 -19.16 36.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.184 0.516 . . . . 0.0 109.785 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.531 ' HG3' ' OD2' ' A' ' 87' ' ' ASP . 14.7 mtpp -127.64 -1.44 6.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.253 -175.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.498 ' HA ' ' HB1' ' A' ' 67' ' ' ALA . 9.5 p -72.08 134.41 29.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.729 0.776 . . . . 0.0 111.414 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 13.6 t70 -91.28 118.89 30.87 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.295 176.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 95.3 m-85 -82.0 -6.48 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.841 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 61.5 tttp -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.78 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.095 172.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 52.7 mt -73.24 1.0 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.244 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.778 ' HA ' ' HE3' ' A' ' 110' ' ' LYS . 8.8 tt0 -66.96 -27.51 67.52 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 171.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -115.67 -8.8 13.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.617 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.5 mt -126.51 143.33 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.1 p -147.08 -67.06 0.26 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.78 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.9 5.25 89.58 Favored Glycine 0 C--N 1.316 -0.543 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.48 HD12 ' HE2' ' A' ' 118' ' ' MET . 54.6 mt -116.88 125.38 73.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.975 -0.612 . . . . 0.0 109.403 -178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.431 ' O ' ' HB ' ' A' ' 104' ' ' VAL . 10.4 m120 -89.09 -160.28 0.65 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.894 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.524 HG22 HG12 ' A' ' 121' ' ' VAL . 89.7 t 78.18 -72.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 123.228 0.611 . . . . 0.0 110.373 -177.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.31 121.17 7.61 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.151 0.5 . . . . 0.0 111.199 176.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.47 -22.53 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.712 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.52 -26.06 67.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.908 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.883 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 0.5 OUTLIER -67.83 -28.49 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.567 -178.128 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.42 -4.31 59.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.229 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.778 ' HE3' ' HA ' ' A' ' 97' ' ' GLN . 47.1 mmtm -93.05 -41.75 9.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.446 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.883 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 60.1 pttt -71.04 -33.91 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.894 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.73 141.14 4.22 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.452 HG21 ' SD ' ' A' ' 118' ' ' MET . 31.1 mm -103.99 120.21 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.499 . . . . 0.0 111.518 -176.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -128.22 -177.52 4.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.514 ' HE3' ' HG2' ' A' ' 119' ' ' GLU . 12.4 tpt -77.51 -22.23 51.51 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.151 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.19 60.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.21 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.94 -66.33 0.44 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.746 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.592 ' O ' ' HG2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -44.54 -51.59 8.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -176.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.514 ' HG2' ' HE3' ' A' ' 115' ' ' MET . 10.3 mm-40 -56.87 -54.92 40.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.555 0.616 . . . . 0.0 111.766 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 120' ' ' LEU . 2.7 tm? -69.16 -33.33 73.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.45 0.643 . . . . 0.0 110.46 -175.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.524 HG12 HG22 ' A' ' 104' ' ' VAL . 7.8 t -76.98 -38.48 28.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.679 -174.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 118' ' ' MET . 33.0 mmt -63.29 -42.07 99.05 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.72 -43.7 98.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.748 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.35 85.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.393 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.06 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.384 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.6 31.42 7.47 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.172 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.406 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 23.4 m-85 -83.18 139.81 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 128' ' ' LYS . 16.0 ptpt -102.02 133.82 46.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -85.16 135.58 33.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.262 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.38 -41.76 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.762 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.636 ' HZ1' ' HB2' ' A' ' 131' ' ' LYS . 10.6 mtmp? 67.09 -171.22 0.19 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.1 mp -115.99 -5.56 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -168.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.56 ' OE2' ' HB3' ' A' ' 131' ' ' LYS . 1.9 mp0 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.945 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -114.74 11.41 16.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.139 0.495 . . . . 0.0 110.635 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -87.35 -78.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -141.7 -77.73 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 45.8 t60 53.16 48.22 22.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.48 -85.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.144 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 59.6 t60 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.449 179.393 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.843 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.71 18.49 67.97 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.54 174.16 10.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.074 -0.563 . . . . 0.0 110.315 -174.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -103.19 171.5 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.516 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG3' ' HD2' ' A' ' 26' ' ' LYS . 6.7 mp0 -77.27 113.88 15.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 172.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -97.8 162.59 13.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.324 -171.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 t -129.88 126.5 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.23 0.538 . . . . 0.0 111.359 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HG3' ' HE2' ' A' ' 115' ' ' MET . 5.4 mmmm -113.17 131.89 55.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.142 172.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -126.3 122.66 36.09 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.148 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.7 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 2.7 p90 -126.01 162.07 26.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 9.9 t -152.88 116.02 4.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.172 0.511 . . . . 0.0 109.827 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.02 109.46 20.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.809 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -89.63 87.82 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.564 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 pp -114.36 132.33 56.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.67 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 73.65 -32.0 0.23 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.716 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 147.75 -11.88 1.29 Allowed Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -97.67 133.91 41.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.599 0.237 . . . . 0.0 110.732 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 29.5 mt-10 -88.57 109.6 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' SER . 47.7 mt -90.93 96.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.5 102.18 11.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.728 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 51.9 mt -101.51 101.62 12.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.294 0.569 . . . . 0.0 109.992 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -94.67 94.28 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.973 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 19.5 p90 -100.78 131.7 46.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.607 0.718 . . . . 0.0 111.583 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.4 123.32 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.903 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CE1' ' HG2' ' A' ' 8' ' ' LYS . 27.5 p90 -126.12 158.9 34.31 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.069 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 70.6 tttt -141.79 115.23 8.95 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.18 -134.52 29.19 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -169.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -103.8 68.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.546 0.673 . . . . 0.0 109.462 173.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -167.17 122.73 1.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.098 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 15.4 t -89.99 120.53 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -102.25 -21.98 14.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.626 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -140.66 120.1 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.746 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.522 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 51.9 tt0 -107.65 100.02 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.419 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.5 m -88.88 96.3 10.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.897 0.38 . . . . 0.0 110.419 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.492 ' HA ' HG12 ' A' ' 21' ' ' ILE . 14.3 m -97.14 101.75 13.38 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 2.7 mt-10 -110.98 112.04 23.58 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.611 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 20.5 p -95.47 106.05 18.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.219 0.533 . . . . 0.0 111.135 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 29.4 ttmt -87.48 93.0 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.915 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.559 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 31.6 mt -91.75 127.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 42' ' ' ALA . 30.9 mm-40 -80.4 150.98 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.26 25.3 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.745 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 40' ' ' GLN . . . -126.54 -4.86 6.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.125 0.488 . . . . 0.0 110.097 174.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -118.54 -18.46 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.559 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 8.1 tt -87.61 -38.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.076 -174.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.8 35.36 5.4 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -172.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.38 126.61 50.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.612 -0.294 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.62 HG23 HG22 ' A' ' 48' ' ' THR . 12.3 t -100.81 -15.06 17.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.203 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.62 HG22 HG23 ' A' ' 47' ' ' THR . 61.5 p -138.6 172.27 13.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -39.74 89.11 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.534 0.683 . . . . 0.0 109.487 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.9 -35.92 64.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.036 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 4.9 m-20 -62.41 -40.58 96.98 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.176 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.84 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -64.71 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.897 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 7.7 ttpm? -57.48 -24.05 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.995 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 61.4 m -93.12 -45.99 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.546 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.66 ' HB2' ' HH ' ' A' ' 75' ' ' TYR . 69.7 mt -81.97 -30.5 31.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 56.0 mt-10 -57.15 -53.72 62.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.396 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 30.2 Cg_endo -64.83 -22.55 63.37 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.863 1.709 . . . . 0.0 112.669 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD12 HD22 ' A' ' 56' ' ' LEU . 68.9 mt -74.65 -53.77 8.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.728 0.299 . . . . 0.0 110.497 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -64.64 -31.16 72.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.476 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -7.74 34.36 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.09 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.513 ' HE2' HD23 ' A' ' 59' ' ' LEU . 68.9 mttm -69.84 -26.15 64.09 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -71.43 -55.14 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm 66.47 39.78 3.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.26 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m120 57.72 57.98 3.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.746 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 92' ' ' ASP . 67.8 mt -53.26 -72.63 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.547 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 90' ' ' LYS . . . -156.42 102.69 2.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.1 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.73 53.9 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.443 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' ' 86' ' ' ILE . 16.4 m -85.39 118.97 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.751 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 42.5 mt-10 -93.54 92.7 7.7 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.774 175.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.64 94.03 9.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.87 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.751 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 65.6 mttm -115.08 123.6 49.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.831 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.93 111.77 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 42.5 p -101.77 113.67 27.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 0.0 110.447 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.66 ' HH ' ' HB2' ' A' ' 56' ' ' LEU . 94.6 m-85 -108.64 103.51 12.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 5.1 m -79.43 -72.52 0.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' THR . 23.0 t70 174.0 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.595 175.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m -90.1 -13.24 36.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -154.1 153.8 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.45 126.15 38.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.318 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.525 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 42.6 tt0 -110.9 115.2 29.1 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.018 0.437 . . . . 0.0 110.632 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.611 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 44.4 tt0 -85.24 93.58 8.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -86.61 101.83 13.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.63 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 82' ' ' GLU . 28.7 t -113.64 104.6 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.106 0.479 . . . . 0.0 111.213 -176.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.608 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.9 m -98.26 105.44 17.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.634 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.729 ' HA ' HG12 ' A' ' 69' ' ' VAL . 5.2 mp -92.75 125.64 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.646 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 91' ' ' VAL . 18.2 t70 -84.94 115.9 23.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 33.0 mtp -94.04 14.86 18.51 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.87 -169.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -102.17 -5.1 24.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.968 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 15.8 ttmm -139.28 2.01 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.507 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.8 129.44 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.604 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.431 ' HB3' HG21 ' A' ' 66' ' ' ILE . 24.6 t70 -98.32 98.12 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.92 170.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -71.45 -12.42 61.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.916 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.62 -47.19 86.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.328 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.78 -46.25 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.744 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.55 -23.98 65.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.854 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.09 -27.22 31.7 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.104 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.45 103.52 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 117.09 0.445 . . . . 0.0 111.37 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 p -163.59 -57.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.282 0.563 . . . . 0.0 110.98 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.01 20.69 78.04 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.438 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.6 HD13 ' HE1' ' A' ' 122' ' ' MET . 77.3 mt -99.22 142.17 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.441 -0.379 . . . . 0.0 109.989 -176.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.685 ' HB3' ' HA ' ' A' ' 125' ' ' ALA . 7.7 t30 -75.25 78.63 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.88 146.51 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.691 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . 40.3 t -76.84 139.91 40.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.217 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.68 66.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 39.3 mt-10 -74.08 -23.27 59.32 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.078 176.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.931 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 5.5 t70 -90.34 -49.95 6.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.009 0.433 . . . . 0.0 110.13 -174.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.513 ' HA ' HD13 ' A' ' 113' ' ' ILE . . . -57.16 -39.91 76.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HZ1' ' HB2' ' A' ' 110' ' ' LYS . 10.5 mtmp? -82.94 4.08 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.931 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 61.1 mttm -78.01 -34.39 50.75 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.588 0.709 . . . . 0.0 109.323 171.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.61 94.99 2.38 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -166.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 109' ' ' ALA . 43.5 mm -63.07 127.1 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.688 0.756 . . . . 0.0 112.073 -168.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.8 p -107.28 -173.64 2.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.684 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.548 ' HE2' ' HG3' ' A' ' 8' ' ' LYS . 15.4 tpt -74.32 -43.83 55.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.51 -45.07 85.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.469 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.59 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 36.1 mt-30 -59.47 -59.12 5.95 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.516 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -46.99 -50.21 19.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.441 0.463 . . . . 0.0 112.173 -178.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.52 -57.99 10.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 111.69 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.07 -36.99 80.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 111.422 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -75.4 -39.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.97 -174.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.6 ' HE1' HD13 ' A' ' 102' ' ' ILE . 10.1 mmt -70.6 -38.11 73.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.854 0.359 . . . . 0.0 111.075 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.6 -12.32 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.936 0.398 . . . . 0.0 110.236 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.8 -27.99 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.957 171.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.685 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -73.27 -10.15 59.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.928 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.3 16.59 60.36 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.968 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -90.99 154.7 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 13.3 ptmm? -118.24 143.28 46.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.781 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 23.5 mt-10 -73.81 147.61 43.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.681 177.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.18 -17.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 59.58 -157.42 0.33 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.151 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.4 HD11 ' N ' ' A' ' 132' ' ' LEU . 1.3 mp -134.16 -178.03 4.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 161.38 12.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -77.75 104.06 8.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.505 0.669 . . . . 0.0 110.275 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -112.2 97.98 7.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.59 15.12 2.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.011 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -85.85 97.0 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.511 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -83.68 -43.0 16.01 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.96 171.54 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.46 ' HA3' ' HG2' ' A' ' 6' ' ' GLU . . . -139.74 -152.81 5.92 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.161 -0.542 . . . . 0.0 111.778 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' OD2' ' HG3' ' A' ' 4' ' ' LYS . 32.4 t70 -153.75 -70.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.802 0.301 . . . . 0.0 111.241 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HG3' ' OD2' ' A' ' 3' ' ' ASP . 67.3 mttm -97.24 -77.76 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.61 . . . . 0.0 109.718 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.89 111.89 24.63 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 170.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' HG2' ' HA3' ' A' ' 2' ' ' GLY . 39.0 mt-10 -99.39 140.77 33.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.299 -164.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.65 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 36.5 m -102.74 142.3 34.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.287 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' THR . 84.5 tttt -144.43 132.56 21.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.843 177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 9.3 tppt? -108.61 128.84 55.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.467 . . . . 0.0 111.274 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.645 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 1.5 p90 -127.34 147.35 50.25 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 165.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 23.2 t -142.86 106.39 4.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.764 0.316 . . . . 0.0 110.223 -174.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.02 46.66 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -93.21 96.02 9.74 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.14 96.21 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.278 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 70.96 -54.28 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.952 0.901 . . . . 0.0 111.544 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA3' ' OG ' ' A' ' 43' ' ' SER . . . -169.43 26.62 0.12 Allowed Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.423 HG21 HG13 ' A' ' 39' ' ' ILE . 3.6 m -122.86 99.5 6.42 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 3.5 mt-10 -83.04 92.98 7.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.0 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.513 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -91.38 108.66 20.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.749 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 106.27 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.494 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -110.58 128.62 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.157 0.503 . . . . 0.0 111.034 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 4.1 m -112.12 116.98 31.37 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.834 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' A' ' 7' ' ' SER . 18.3 m-85 -81.29 147.05 30.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 49.6 t -119.88 95.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 163.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.518 ' HB3' HG23 ' A' ' 30' ' ' VAL . 51.2 p90 -109.68 138.68 45.69 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.966 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -113.6 99.22 7.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.369 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.35 -116.05 4.82 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -172.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -111.61 30.68 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.593 0.711 . . . . 0.0 109.697 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -127.0 110.33 12.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.238 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 25' ' ' TYR . 15.3 t -80.16 95.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 89.7 mt -91.24 -9.08 46.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.548 -170.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 38.8 mttp -151.87 136.39 16.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.68 0.276 . . . . 0.0 110.433 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.673 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 8.7 tt0 -125.83 119.7 28.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -102.33 99.04 9.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.037 0.446 . . . . 0.0 110.242 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -103.47 117.14 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.702 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 41.9 mt-10 -115.27 107.02 14.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.188 0.518 . . . . 0.0 110.181 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.513 HG23 HG12 ' A' ' 19' ' ' ILE . 30.9 m -90.19 112.41 23.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.983 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 39.2 tttm -99.9 97.76 8.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.215 0.531 . . . . 0.0 110.281 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.423 HG13 HG21 ' A' ' 17' ' ' THR . 4.0 mp -93.34 128.24 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.502 -176.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.88 133.34 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 49' ' ' LYS . 10.5 m-30 -61.57 -33.36 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -174.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.39 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.509 ' OG ' ' HA3' ' A' ' 16' ' ' GLY . 11.4 m -91.3 -43.5 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.554 HG23 ' HA ' ' A' ' 41' ' ' PHE . 9.7 tt -70.88 -26.37 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.23 24.25 17.22 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.939 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.79 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.866 0.365 . . . . 0.0 110.532 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.9 m -82.76 -47.26 12.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.203 0.525 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -107.19 155.99 19.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.602 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.7 ttpm? -52.57 -44.23 65.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.486 . . . . 0.0 110.817 174.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.79 -28.38 67.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.408 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.82 -30.21 63.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.937 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.54 -35.4 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.519 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.57 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -57.57 -18.87 21.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.512 ' O ' HD12 ' A' ' 59' ' ' LEU . 20.8 m -98.35 -42.94 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.3 mt -79.72 -36.24 37.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.549 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 56.3 mm-40 -51.93 -53.66 49.0 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 46.0 Cg_exo -52.83 -37.95 77.53 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.355 2.037 . . . . 0.0 113.559 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 55' ' ' THR . 8.7 mp -69.68 -53.87 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -170.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -65.11 -29.52 70.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.756 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.29 -0.31 3.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.797 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.654 ' HB3' HG12 ' A' ' 99' ' ' ILE . 94.1 mttt -87.25 0.58 55.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 175.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.448 ' O ' HG13 ' A' ' 66' ' ' ILE . 45.7 m-85 -112.52 -17.87 12.55 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.615 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 1.4 pptp? -51.81 115.07 1.48 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.522 0.677 . . . . 0.0 112.612 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.6 m120 65.68 30.78 10.18 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.587 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 62' ' ' LYS . 39.5 mt -73.4 -33.28 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.864 0.84 . . . . 0.0 109.508 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.86 -149.08 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.436 -1.256 . . . . 0.0 108.0 -175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.39 54.05 2.35 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.337 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' ' 86' ' ' ILE . 3.7 m -110.21 124.92 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.178 0.513 . . . . 0.0 110.874 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.41 116.12 27.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -93.11 125.03 37.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 83' ' ' ASN . 66.0 mttp -130.73 96.19 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.87 0.367 . . . . 0.0 110.502 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 74.3 mt -83.53 105.92 14.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.277 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.5 p -106.64 109.98 22.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.42 0.628 . . . . 0.0 110.807 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 62.6 m-85 -99.15 134.99 41.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.0 p -101.83 -77.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.048 0.451 . . . . 0.0 110.726 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -174.16 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.217 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m -109.89 -23.9 11.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -143.91 166.48 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.8 140.46 44.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 37' ' ' THR . 23.7 mt-30 -117.27 122.74 44.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.916 0.389 . . . . 0.0 111.487 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 31.2 mt-10 -84.9 90.47 7.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 169.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 13.7 m120 -78.82 94.17 5.12 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 t -111.52 128.85 67.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.166 0.508 . . . . 0.0 111.409 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.688 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.5 m -110.88 111.4 22.52 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.796 ' HA ' HG11 ' A' ' 69' ' ' VAL . 72.5 mt -110.29 107.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.8 t70 -69.34 126.94 31.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.673 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 78.8 mtp -107.12 17.18 23.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 31' ' ' LEU . 45.4 mt-10 -94.93 -34.87 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -115.07 22.36 13.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.45 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -52.38 110.27 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 121.105 0.479 . . . . 0.0 111.168 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.8 89.25 5.8 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 70.5 m-85 -65.68 -15.81 63.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -66.01 -48.09 72.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.541 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.5 49.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.716 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 33.0 mt -60.41 -19.18 55.18 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.44 -21.94 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.834 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.43 -2.68 63.49 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.654 HG12 ' HB3' ' A' ' 62' ' ' LYS . 4.2 mp -128.46 -90.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.756 0.278 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m 60.63 -85.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.365 0.666 . . . . 0.0 111.907 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.21 0.72 70.39 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.161 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.92 131.33 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 110.387 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.72 87.3 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.067 0.461 . . . . 0.0 109.885 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.519 HG23 ' H ' ' A' ' 105' ' ' SER . 9.7 p -148.67 171.85 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.3 -177.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.519 ' H ' HG23 ' A' ' 104' ' ' VAL . 10.5 p -91.1 175.71 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.501 ' HB1' ' HE2' ' A' ' 110' ' ' LYS . . . -83.19 -24.28 32.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -178.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.48 16.41 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.686 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -126.09 -67.2 0.88 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 113' ' ' ILE . . . -59.65 -52.57 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.848 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.501 ' HE2' ' HB1' ' A' ' 106' ' ' ALA . 46.6 mtmt -85.11 4.22 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -175.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -97.16 -32.22 12.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.22 115.61 1.68 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 109' ' ' ALA . 27.1 mm -85.31 137.31 21.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.364 0.602 . . . . 0.0 111.587 -174.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.6 p -127.14 -172.44 2.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.729 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.78 -47.51 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.13 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -54.94 -71.81 0.08 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.696 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.703 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -55.94 -30.67 62.04 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -59.07 -62.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.474 . . . . 0.0 110.53 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.08 -41.36 98.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.628 0.728 . . . . 0.0 111.5 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.7 t -79.38 -48.13 21.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 114.674 -1.148 . . . . 0.0 112.354 -169.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.703 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -72.18 -33.52 67.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 0.0 111.079 -179.106 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.18 -21.23 54.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.442 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.5 70.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 110.409 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.18 -15.35 62.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.836 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.22 37.04 25.8 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.167 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.421 ' CD2' ' HG3' ' A' ' 122' ' ' MET . 22.7 m-85 -78.73 161.87 26.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.396 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.614 ' HB3' ' O ' ' A' ' 11' ' ' SER . 87.8 tttt -91.92 101.0 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.162 0.506 . . . . 0.0 109.845 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.424 ' OE1' ' HD2' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -85.83 126.54 34.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.176 -174.359 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 131' ' ' LYS . 42.9 t -117.85 -20.7 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.424 ' HD2' ' OE1' ' A' ' 129' ' ' GLU . 13.7 mptt 62.02 -114.2 0.52 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -165.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.579 HD11 ' N ' ' A' ' 133' ' ' GLU . 3.9 pp 168.65 -32.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 109.871 173.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.579 ' N ' HD11 ' A' ' 132' ' ' LEU . 44.3 tt0 -75.6 -35.75 60.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.485 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.24 13.1 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.749 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -70.33 123.19 21.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.177 0.513 . . . . 0.0 111.028 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.66 -27.02 14.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 109.904 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -101.97 139.55 37.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -91.78 149.31 21.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 111.552 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 . . . . . 0 C--O 1.244 0.814 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.548 175.586 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.63 50.87 2.58 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.08 -52.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 123.536 0.734 . . . . 0.0 109.538 -170.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 74.81 155.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.739 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.31 100.35 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.208 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 66.4 mt-10 -97.69 137.27 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.63 ' HB2' HD11 ' A' ' 132' ' ' LEU . 13.7 m -95.45 111.69 23.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -114.1 115.53 27.69 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 37.0 ttpt -107.23 147.35 30.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 3.8 p90 -126.62 144.47 50.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 164.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -137.83 106.55 5.9 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.027 0.442 . . . . 0.0 110.396 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.33 122.97 41.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' OD1' ' HG2' ' A' ' 18' ' ' GLU . 5.4 t30 -80.94 93.91 6.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.35 84.28 7.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.824 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 62.52 8.27 2.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.862 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.61 -44.64 0.62 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.909 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.494 HG23 HG12 ' A' ' 39' ' ' ILE . 1.9 p -82.28 118.88 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.933 0.396 . . . . 0.0 110.842 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.6 mt-10 -86.41 96.06 9.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.329 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -93.03 110.29 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.263 0.554 . . . . 0.0 110.992 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.93 108.91 19.34 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.35 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 43.8 mt -112.85 113.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.089 -177.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 7.8 m -104.93 108.53 20.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.683 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.501 ' HE2' ' HE1' ' A' ' 115' ' ' MET . 6.7 p90 -106.0 120.51 41.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.415 0.626 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 93.1 t -91.48 121.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.501 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 28.2 p90 -119.31 154.47 33.46 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.459 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HZ1' ' HB2' ' A' ' 26' ' ' LYS . 4.0 ttmp? -123.42 94.96 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.08 -116.2 4.22 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.995 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.52 -12.31 29.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.796 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HD2' HD23 ' A' ' 31' ' ' LEU . 16.6 ttmm -112.67 121.77 45.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -170.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.6 t -76.16 133.22 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.515 HD23 ' HD2' ' A' ' 29' ' ' LYS . 94.7 mt -121.41 -3.2 9.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.27 117.19 0.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.911 0.386 . . . . 0.0 111.23 177.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -111.41 103.97 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -90.02 100.71 13.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.27 0.557 . . . . 0.0 110.363 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 21' ' ' ILE . 6.1 m -105.08 113.08 26.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.222 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.6 tt0 -114.38 111.15 21.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.235 0.54 . . . . 0.0 110.266 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 19.6 m -89.48 108.46 19.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.029 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.3 tttm -87.15 108.38 18.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.476 0.655 . . . . 0.0 109.863 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.494 HG12 HG23 ' A' ' 17' ' ' THR . 45.1 mt -107.9 133.49 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.453 -173.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.55 139.65 30.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.033 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.97 -31.8 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.34 63.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.406 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -88.77 -43.13 11.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 0.0 110.393 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 tt -79.05 -18.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.973 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.16 38.01 16.59 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.407 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.56 116.24 31.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.32 . . . . 0.0 110.339 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 -14.04 51.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.765 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -151.57 176.42 11.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.089 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.91 -35.58 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.12 -43.35 95.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.967 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.519 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 1.1 m-20 -60.37 -37.0 79.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.82 -53.53 17.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -62.07 -46.4 89.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.064 -176.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 63.5 pttt -59.8 -19.24 49.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.785 0.326 . . . . 0.0 111.285 -176.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.425 ' O ' HD11 ' A' ' 59' ' ' LEU . 16.6 m -99.13 -41.75 7.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.341 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.09 -31.53 23.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 47.7 mt-10 -60.3 -50.86 83.92 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 26.2 Cg_endo -64.2 -14.2 42.39 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.852 1.702 . . . . 0.0 112.51 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 55' ' ' THR . 6.9 mp -84.88 -50.75 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.713 0.292 . . . . 0.0 110.326 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 p -70.12 -16.06 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.08 62.38 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -75.04 -4.94 41.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -114.24 22.41 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -105.88 -5.54 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -133.89 11.85 3.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.6 HG22 ' HG ' ' A' ' 96' ' ' LEU . 37.2 mt -92.7 -90.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.048 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.48 -146.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.357 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.88 52.91 2.5 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.715 HG13 ' HA ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -92.94 112.97 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.447 0.642 . . . . 0.0 110.902 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 49.2 mt-10 -96.62 148.49 22.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.607 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.36 151.95 50.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 111.256 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 21.2 mtpp -144.26 100.03 3.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.83 99.72 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.72 108.82 17.62 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 -174.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -114.27 120.03 39.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.092 0.472 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.7 m -69.2 -58.44 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 179.07 -48.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.03 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -95.79 -19.22 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.182 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -146.71 158.03 43.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.864 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.87 136.64 54.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.572 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -104.98 112.25 25.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 40.4 tt0 -91.63 82.48 5.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 26.0 t-20 -83.03 106.83 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.57 109.69 29.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 111.086 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 92.3 m -95.81 102.77 14.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.13 0.491 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.715 ' HA ' HG13 ' A' ' 69' ' ' VAL . 64.9 mt -94.93 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.567 ' O ' HG11 ' A' ' 91' ' ' VAL . 14.2 t70 -74.6 122.12 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.095 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.451 ' HA ' HG11 ' A' ' 91' ' ' VAL . 58.8 mtt -98.82 16.17 23.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.495 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.7 mt-10 -98.89 -19.89 17.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 0.0 110.251 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -131.19 26.87 4.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.181 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -57.16 139.8 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.444 0.64 . . . . 0.0 112.702 -178.093 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -110.56 98.98 8.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.137 171.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 88.1 m-85 -76.53 -1.42 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 110.606 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -70.0 -51.41 32.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.841 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 66' ' ' ILE . . . -70.74 -43.61 68.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.143 0.497 . . . . 0.0 110.071 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.6 ' HG ' HG22 ' A' ' 66' ' ' ILE . 24.1 mt -68.36 -9.19 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.35 -44.28 92.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.34 -27.18 10.19 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.593 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.6 mt -84.17 -11.24 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.4 p -65.03 98.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.265 0.555 . . . . 0.0 111.845 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.4 7.28 82.12 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.527 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.2 mt -81.13 62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -87.44 71.66 9.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.415 0.626 . . . . 0.0 111.697 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 121' ' ' VAL . 58.4 t -88.18 -52.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 162.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 108' ' ' ASP . 2.4 p -144.29 100.4 3.54 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.607 -1.633 . . . . 0.0 107.432 162.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.544 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -51.04 -34.57 30.33 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.23 -26.11 67.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.251 -178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 105' ' ' SER . 0.8 OUTLIER -63.4 -44.66 94.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.305 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.76 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mttm -72.63 -19.14 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.318 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -89.38 -52.51 5.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.521 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 152.14 119.72 0.83 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.083 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.2 mm -83.45 124.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 111.397 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -127.2 -176.55 3.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.483 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.855 ' HA ' ' HE2' ' A' ' 115' ' ' MET . 2.6 tpt -65.61 -48.6 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.472 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.2 67.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -58.63 -66.8 0.44 Allowed 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.659 176.009 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.523 ' O ' ' HB2' ' A' ' 122' ' ' MET . 6.2 ttm -54.38 -34.92 62.19 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.521 ' HG2' ' HE3' ' A' ' 115' ' ' MET . 5.6 mm-40 -59.99 -64.01 1.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.022 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.19 -36.16 81.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.489 0.662 . . . . 0.0 111.145 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 104' ' ' VAL . 6.8 t -75.13 -47.75 34.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.025 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.523 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -71.04 -33.76 70.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.135 -0.353 . . . . 0.0 111.235 -178.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 30.3 mtpp -71.12 -27.69 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 0.0 110.165 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.62 61.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.59 -6.19 58.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.81 29.39 54.85 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.182 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.47 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 17.4 m-85 -83.67 146.57 28.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.52 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -99.76 118.47 36.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.512 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.46 96.63 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.765 0.793 . . . . 0.0 111.353 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.02 104.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.495 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -84.26 113.74 21.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.371 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.63 HD11 ' HB2' ' A' ' 7' ' ' SER . 3.2 pp -98.35 6.51 47.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.367 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -46.3 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 48.12 60.89 3.29 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.054 0.846 . . . . 0.0 110.772 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 130.19 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.724 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.88 162.99 25.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.346 -170.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -69.64 81.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.895 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.02 137.89 51.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 13.2 p80 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.856 -1.068 . . . . 0.0 109.515 -178.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.907 0.384 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.51 -22.92 32.75 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -169.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.08 151.1 21.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.897 -1.152 . . . . 0.0 109.648 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -139.36 -46.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.224 0.535 . . . . 0.0 110.339 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -119.3 118.68 31.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.017 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.0 mm-40 -98.32 133.65 42.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.732 -169.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -109.48 117.83 35.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 32.6 mtpt -113.33 110.42 20.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.56 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HB2' HG23 ' A' ' 22' ' ' THR . 21.2 ttmm -106.87 97.76 7.51 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.775 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.673 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 6.4 p90 -94.57 142.35 27.54 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 33.0 t -143.05 123.11 13.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.154 0.502 . . . . 0.0 110.598 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.92 126.12 43.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.447 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -76.52 106.35 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -83.49 -156.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.78 -58.32 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.878 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.14 7.27 4.39 Favored Glycine 0 C--N 1.311 -0.818 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.677 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.468 HG23 HG13 ' A' ' 39' ' ' ILE . 39.0 m -136.58 117.92 14.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 42.6 mt-10 -87.19 117.59 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 175.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 11' ' ' SER . 62.1 mt -100.83 108.18 22.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.908 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -113.27 109.45 18.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.751 175.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.673 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 54.5 mt -108.18 111.17 34.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.805 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.0 m -94.77 96.25 9.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.708 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -104.0 133.1 49.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.693 0.758 . . . . 0.0 111.058 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 74.9 t -104.48 113.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.478 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 45.1 p90 -112.78 154.56 26.03 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.438 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -133.05 90.49 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 -117.16 4.35 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.168 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -11.85 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.369 . . . . 0.0 110.683 175.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' HD2' HD21 ' A' ' 31' ' ' LEU . 2.3 tmtm? -94.25 112.62 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.032 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 11.3 t -79.65 119.11 28.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' HD2' ' A' ' 29' ' ' LYS . 95.9 mt -100.73 -17.55 16.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -169.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 51.6 tttp -153.35 141.64 20.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.56 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.617 HE22 HD11 ' A' ' 102' ' ' ILE . 50.7 tt0 -131.08 148.12 52.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 50.7 m -140.3 99.02 3.56 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.045 0.45 . . . . 0.0 110.069 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.469 ' HA ' HG12 ' A' ' 21' ' ' ILE . 46.5 m -97.49 97.56 9.19 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.484 0.659 . . . . 0.0 109.735 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -99.83 112.74 24.98 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.548 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.628 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 29.9 p -103.35 122.79 45.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.101 0.477 . . . . 0.0 111.367 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 4.1 ttmp? -94.22 99.53 11.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 HG13 HG23 ' A' ' 17' ' ' THR . 4.6 mp -96.75 117.54 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.465 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.38 143.92 46.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.432 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -62.3 -24.74 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.507 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.79 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -88.0 -23.17 23.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.399 . . . . 0.0 110.551 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.49 HD11 ' HB ' ' A' ' 55' ' ' THR . 3.4 tt -98.11 -27.49 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.784 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.78 30.64 14.53 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.369 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.6 39.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.929 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.7 p -83.73 -29.4 27.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.605 0.716 . . . . 0.0 110.222 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 50' ' ' GLU . 14.4 t -156.12 -174.12 4.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.136 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -64.07 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.629 ' HG2' ' CD ' ' A' ' 54' ' ' LYS . 30.7 tt0 -60.28 -57.48 12.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.568 0.223 . . . . 0.0 110.503 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.51 -36.29 75.8 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.076 0.465 . . . . 0.0 110.329 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.79 76.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.315 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.82 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.688 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.629 ' CD ' ' HG2' ' A' ' 50' ' ' GLU . 36.0 mtpt -49.72 -32.1 12.77 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 44' ' ' ILE . 4.4 m -99.49 -42.97 6.71 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 79.7 mt -89.08 -15.03 34.95 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -171.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 31.9 mm-40 -62.56 -55.56 37.98 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 122.204 -0.31 . . . . 0.0 110.726 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 53.0 Cg_exo -54.92 -28.02 56.85 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 122.079 1.853 . . . . 0.0 112.321 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 28.7 tp -66.14 -58.34 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.596 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.477 ' HG ' HD11 ' A' ' 73' ' ' LEU . 17.8 p -78.2 -17.37 56.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.502 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.2 2.58 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.919 ' HB3' HD13 ' A' ' 99' ' ' ILE . 61.7 mttp -78.6 -25.76 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.57 0.224 . . . . 0.0 110.712 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.547 ' OH ' ' HA ' ' A' ' 100' ' ' SER . 80.1 m-85 -96.87 22.18 8.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.49 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.69 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -174.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t30 47.11 64.14 1.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.593 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 62' ' ' LYS . 28.9 mt -85.7 -28.6 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.084 0.945 . . . . 0.0 108.635 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.62 -146.7 0.09 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.985 -1.462 . . . . 0.0 107.998 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.27 45.85 2.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.402 172.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 86' ' ' ILE . 4.3 m -104.82 127.11 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 121.014 0.435 . . . . 0.0 110.967 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.45 110.27 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.474 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 93.92 9.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 174.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 19.2 ttmt -111.41 96.29 6.02 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.342 -169.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 60' ' ' SER . 42.4 mt -84.82 106.55 16.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.506 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -101.8 117.61 35.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.153 0.502 . . . . 0.0 110.147 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -84.72 109.91 18.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -82.37 -66.27 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 t70 173.33 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.072 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 m -93.87 -16.01 24.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.357 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 38' ' ' LYS . 48.1 p90 -150.29 170.89 17.93 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.22 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.27 130.59 56.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.645 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.81 108.4 20.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.628 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.5 tt0 -91.53 86.74 6.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.29 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -80.36 95.54 6.41 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 82' ' ' GLU . 46.7 t -98.52 108.21 21.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.944 0.402 . . . . 0.0 111.023 -175.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.733 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 10.4 m -92.04 98.61 11.66 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.86 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.5 mt -93.41 112.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' HB3' HG11 ' A' ' 91' ' ' VAL . 17.6 t70 -68.32 162.85 24.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.469 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.442 ' HE3' ' HB2' ' A' ' 33' ' ' GLN . 42.3 mtt -136.73 18.7 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -115.43 -40.62 3.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -114.28 10.59 17.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.861 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -79.03 179.38 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.077 0.941 . . . . 0.0 113.433 -176.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.59 104.65 5.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.562 170.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -64.79 -25.81 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.555 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.08 -52.81 63.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.128 0.49 . . . . 0.0 109.991 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.84 -27.15 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.274 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' HA ' ' HB ' ' A' ' 99' ' ' ILE . 72.7 mt -83.17 -12.41 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.67 -43.99 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.526 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.69 16.18 51.86 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.919 HD13 ' HB3' ' A' ' 62' ' ' LYS . 47.2 mm -116.07 -54.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.709 0.29 . . . . 0.0 111.385 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.547 ' HA ' ' OH ' ' A' ' 63' ' ' TYR . 35.1 m -65.37 -16.23 63.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.815 -171.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.6 -13.27 53.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.717 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.617 HD11 HE22 ' A' ' 33' ' ' GLN . 56.7 mt -70.83 90.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.429 HD21 ' C ' ' A' ' 102' ' ' ILE . 0.9 OUTLIER -126.19 49.64 1.97 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.524 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.63 -15.06 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.897 0.856 . . . . 0.0 108.868 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -157.79 -176.43 5.93 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.273 -1.33 . . . . 0.0 107.76 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.39 -22.48 17.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.28 0.562 . . . . 0.0 109.96 171.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -89.33 -13.39 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.494 -174.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -57.56 -53.6 56.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.656 0.265 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.23 -45.39 48.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.694 0.283 . . . . 0.0 111.254 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.13 -20.88 33.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.469 . . . . 0.0 110.977 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.77 136.88 9.37 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.167 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.71 120.21 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.232 0.539 . . . . 0.0 111.409 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.62 168.66 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.248 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.9 tpt -69.65 -40.53 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.04 69.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -58.99 -66.0 0.58 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.474 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 20.6 mmt -44.9 -47.08 11.21 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -56.34 -57.24 13.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.536 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.79 -27.66 62.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 111.662 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.8 -42.64 19.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.385 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.534 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -69.31 -37.38 77.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.952 0.405 . . . . 0.0 110.328 176.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -70.54 -27.78 64.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.265 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.456 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.03 1.81 54.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.53 46.01 87.1 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.333 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.534 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 29.0 m-85 -78.0 158.79 29.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.909 0.385 . . . . 0.0 110.393 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -108.48 106.06 15.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.48 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 13.8 mt-10 -91.23 121.26 32.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.402 0.62 . . . . 0.0 112.055 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.29 110.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.622 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 131' ' ' LYS . 36.4 mtpt -67.05 113.02 4.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.482 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 32.6 tp -80.76 76.54 7.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.363 0.601 . . . . 0.0 109.845 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 136' ' ' HIS . 26.7 mt-10 -106.47 153.51 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.246 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -66.24 -37.25 85.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -90.72 19.73 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.869 ' HB2' ' HB2' ' A' ' 133' ' ' GLU . 4.3 t60 -106.32 -46.06 4.13 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -89.88 118.42 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -133.2 161.44 34.44 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.771 0.319 . . . . 0.0 111.165 -172.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.3 t60 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.917 171.537 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttp . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.841 0.353 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.64 48.52 0.96 Allowed Glycine 0 CA--C 1.505 -0.586 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 0.9 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.33 -0.935 . . . . 0.0 111.158 -167.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -117.22 110.94 18.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.324 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.69 79.75 0.23 Allowed 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.185 0.928 . . . . 0.0 110.023 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 45.7 mt-10 -97.72 137.45 36.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.493 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 t -97.72 112.14 24.15 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.673 ' HD2' ' HB3' ' A' ' 131' ' ' LYS . 9.9 tptm -113.64 95.18 5.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.761 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.3 ttmm -95.63 123.88 39.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 3.1 p90 -106.69 139.86 40.46 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 29.7 t -136.57 131.23 33.51 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.81 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.95 128.86 33.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.751 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 1.6 m-20 -104.16 99.13 8.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -175.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.5 pp -138.15 140.12 39.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 111.724 -174.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.2 t30 59.53 27.0 16.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.375 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA3' ' HG ' ' A' ' 43' ' ' SER . . . 74.24 13.85 81.06 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.19 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.509 HG21 HG13 ' A' ' 39' ' ' ILE . 11.3 m -118.39 98.62 6.36 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' A' ' 38' ' ' LYS . 5.9 mt-10 -83.46 96.24 8.51 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 11' ' ' SER . 63.7 mt -91.68 125.23 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 -172.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -135.92 102.95 5.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.416 0.627 . . . . 0.0 110.501 174.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 75.9 mt -93.56 114.95 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.813 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.0 m -103.07 100.62 10.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.901 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.727 ' HE2' ' HE2' ' A' ' 115' ' ' MET . 17.6 p90 -106.46 127.94 53.68 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.411 0.624 . . . . 0.0 111.051 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 30.0 t -94.03 118.62 40.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.294 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -127.89 164.58 21.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.269 0.557 . . . . 0.0 111.72 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HE3' HD12 ' A' ' 31' ' ' LEU . 17.0 mtmt -142.55 99.6 3.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.412 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.58 -141.41 20.36 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -86.92 5.85 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.175 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HD2' HD22 ' A' ' 31' ' ' LEU . 5.3 tmtt? -108.46 112.23 24.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.519 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.92 127.03 39.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.613 HD22 ' HD2' ' A' ' 29' ' ' LYS . 84.5 mt -109.85 -33.42 6.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.763 0.316 . . . . 0.0 111.455 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 38.4 mmtm -131.48 147.7 52.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.77 0.319 . . . . 0.0 110.969 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.746 HE22 HD12 ' A' ' 102' ' ' ILE . 64.7 tt0 -136.12 139.54 43.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 m -123.81 111.51 16.19 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 m -97.49 99.61 11.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -115.02 108.44 16.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.367 -172.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.716 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 19.4 p -111.41 136.98 49.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.858 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 77.5 tttt -107.86 99.66 9.1 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.509 HG13 HG21 ' A' ' 17' ' ' THR . 4.8 mp -96.03 120.61 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -73.45 143.57 46.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.015 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -58.81 -32.79 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 111.398 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.98 69.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.261 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.423 ' HG ' ' HA3' ' A' ' 16' ' ' GLY . 38.2 m -79.09 -43.78 23.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.176 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.467 HG22 ' H ' ' A' ' 46' ' ' ALA . 7.2 tt -73.35 -25.71 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.78 24.08 58.8 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.723 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' H ' HG22 ' A' ' 44' ' ' ILE . . . -75.4 147.08 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -84.36 -49.38 8.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.7 p -138.61 -178.44 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.98 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.63 -31.89 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.57 -43.86 68.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.04 0.448 . . . . 0.0 110.064 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 34.0 t70 -64.49 -30.47 71.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.357 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.67 93.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.22 79.48 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.481 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.61 -12.82 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 44' ' ' ILE . 24.6 m -98.75 -43.79 6.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.16 -37.51 26.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 21.3 mt-10 -52.49 -53.8 49.49 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 85.8 Cg_exo -44.77 -31.85 5.51 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.136 2.557 . . . . 0.0 113.681 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.3 -59.97 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.691 0.281 . . . . 0.0 110.948 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m -65.93 -27.49 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.964 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.15 -3.6 24.22 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 99' ' ' ILE . 64.1 mttp -75.28 -14.7 60.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.515 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.5 m-85 -84.26 -29.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.401 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -75.98 34.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -167.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.45 -12.51 4.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.2 171.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.766 HG21 ' H ' ' A' ' 67' ' ' ALA . 2.3 mt -89.54 -168.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.488 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.766 ' H ' HG21 ' A' ' 66' ' ' ILE . . . -98.26 129.61 44.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . 61.39 25.36 64.85 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.389 173.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.624 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.1 m -105.41 136.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.082 0.468 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -134.28 103.35 5.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.286 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -85.26 98.48 10.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.761 0.791 . . . . 0.0 110.77 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -100.11 102.32 13.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.094 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 92.9 mt -95.11 105.5 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.846 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -101.88 109.53 21.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.16 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 98.7 m-85 -103.88 138.58 40.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -119.02 -159.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 170.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.56 -6.93 24.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.581 0.705 . . . . 0.0 109.562 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 m -112.77 -39.67 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.66 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -149.81 168.73 22.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 111.198 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.93 44.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.04 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.482 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 60.8 tt0 -100.77 115.03 29.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.035 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.716 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.0 tt0 -94.43 97.5 10.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -105.85 97.86 7.63 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.451 HG21 ' HG2' ' A' ' 82' ' ' GLU . 57.4 t -108.15 133.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 -173.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 5.5 m -100.04 142.18 31.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 69.4 mt -138.04 126.21 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 21.8 t70 -94.66 106.67 18.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.381 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.523 ' HE1' ' HB2' ' A' ' 33' ' ' GLN . 29.2 mtt -79.8 17.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.387 -176.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -104.34 -19.87 13.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -140.25 -6.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 88' ' ' MET . 10.4 p -58.75 139.57 18.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.31 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -101.38 114.96 29.43 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 97.9 m-85 -75.21 -15.29 60.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.478 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HB3' ' HE3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -74.6 -27.83 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.406 174.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.68 -27.79 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.299 0.571 . . . . 0.0 109.752 172.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 21.4 mt -76.11 1.21 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 174.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 6.3 tp60 -41.09 -44.88 2.58 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.728 0.811 . . . . 0.0 112.167 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.53 19.25 7.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.75 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 62' ' ' LYS . 13.2 mt -130.59 11.07 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.768 0.794 . . . . 0.0 109.838 -175.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.3 p -74.51 102.55 4.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.856 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.26 -24.14 60.8 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 172.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.746 HD12 HE22 ' A' ' 33' ' ' GLN . 9.0 mm -85.44 105.74 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -140.93 98.99 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.969 0.414 . . . . 0.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -143.69 -45.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.982 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -138.19 174.38 10.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.845 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -95.43 5.19 52.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.93 0.395 . . . . 0.0 111.074 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' CD ' ' HZ1' ' A' ' 111' ' ' LYS . 53.3 mm-40 -105.12 -8.64 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.328 -176.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.67 ' HA ' ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER -100.2 -88.02 0.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.552 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.573 ' HB2' ' HB ' ' A' ' 102' ' ' ILE . . . -67.46 -32.98 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 111.614 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 106' ' ' ALA . 51.4 tptt -70.71 -17.01 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.515 -173.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HZ1' ' CD ' ' A' ' 107' ' ' GLU . 99.5 mttt -130.66 18.69 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.463 . . . . 0.0 111.431 -176.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.95 121.99 3.96 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.534 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.2 110.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.496 0.665 . . . . 0.0 111.4 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.687 ' HB ' ' OE1' ' A' ' 117' ' ' GLN . 43.2 m -107.89 149.19 28.6 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.727 ' HE2' ' HE2' ' A' ' 23' ' ' TYR . 12.6 tpt -62.17 -30.69 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.578 0.228 . . . . 0.0 111.406 -174.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -53.04 61.09 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.856 0.36 . . . . 0.0 110.115 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.687 ' OE1' ' HB ' ' A' ' 114' ' ' THR . 14.3 mp0 -53.82 -66.91 0.31 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.04 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.425 ' HE3' ' SD ' ' A' ' 122' ' ' MET . 0.0 OUTLIER -40.42 -54.73 2.4 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.606 0.762 . . . . 0.0 112.904 -176.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' HG2' ' HE3' ' A' ' 115' ' ' MET . 51.2 mm-40 -57.58 -57.62 11.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.76 -31.99 72.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.346 0.593 . . . . 0.0 110.993 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 t -75.56 -42.28 41.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.404 -175.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.511 ' HE2' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -62.89 -37.76 88.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.227 0.537 . . . . 0.0 110.234 175.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -74.12 -32.89 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.448 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.227 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.17 -10.75 56.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.265 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.24 43.02 26.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.852 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.95 163.74 21.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -90.63 130.22 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.81 72.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.673 ' HB3' ' HD2' ' A' ' 8' ' ' LYS . 2.4 pptp? -78.34 119.41 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.34 101.91 8.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.137 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.87 88.16 0.73 Allowed 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -31.23 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 -176.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.65 120.86 32.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 173.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -80.57 39.79 0.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.119 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 28.8 m170 61.98 76.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.449 0.643 . . . . 0.0 110.22 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -118.36 116.3 26.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.649 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.364 177.427 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.105 0.478 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.99 49.57 0.84 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -151.72 170.7 19.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.419 -166.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.54 147.51 51.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -83.77 100.31 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -97.39 125.02 41.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.371 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -103.37 133.62 48.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -125.44 111.67 15.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.978 0.418 . . . . 0.0 110.604 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HB2' HG21 ' A' ' 22' ' ' THR . 22.9 ttmm -100.19 117.85 35.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.506 178.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.707 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.5 p90 -116.73 152.24 34.72 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.9 t -146.94 118.67 8.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.05 146.06 50.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.02 120.27 39.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.574 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 16' ' ' GLY . 3.8 pp -145.53 142.44 29.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.92 -12.58 0.47 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 111.542 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 115.53 -3.12 21.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -174.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 m -107.56 138.79 43.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.446 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.8 mt-10 -94.27 106.65 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 11' ' ' SER . 53.8 mt -90.86 104.45 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.493 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -109.66 95.02 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.707 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 68.6 mt -93.85 117.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.912 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.482 HG21 ' HB2' ' A' ' 9' ' ' LYS . 5.2 m -106.31 90.24 3.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.467 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -99.51 132.21 45.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.647 . . . . 0.0 111.352 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -98.91 118.31 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.236 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.5 p90 -109.61 134.91 51.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB3' HD13 ' A' ' 31' ' ' LEU . 77.2 tttt -114.53 104.56 12.14 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.74 -116.11 4.18 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.161 -171.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.41 -8.92 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.02 0.438 . . . . 0.0 111.09 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 34.9 ttmt -111.46 135.34 52.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.716 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 4.4 t -78.9 118.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 mt -110.83 -3.6 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 33.6 mttp -155.05 131.98 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.741 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 59.1 tt0 -124.26 103.81 8.45 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.792 0.33 . . . . 0.0 110.837 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -85.6 91.25 8.21 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -97.26 108.64 21.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.718 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 38.8 tt0 -122.38 116.0 23.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.58 -176.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.607 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 47.5 p -97.73 119.43 36.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.329 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 84.5 tttt -83.71 97.4 9.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -100.77 103.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.004 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -65.15 147.14 54.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -60.91 -23.18 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.91 60.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.83 0.347 . . . . 0.0 111.276 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.3 t -87.14 -14.85 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.925 0.393 . . . . 0.0 110.604 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' HB ' ' A' ' 55' ' ' THR . 5.4 tt -111.23 -26.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.62 33.72 11.08 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.58 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.46 120.23 39.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -75.71 -31.61 59.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.214 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -129.67 156.11 44.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.427 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -64.33 -24.67 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.183 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -46.23 89.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.764 172.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 58.3 m-20 -61.34 -38.02 85.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.86 -51.61 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.781 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.7 -43.03 99.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.136 0.493 . . . . 0.0 110.818 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 21.1 ttpt -57.79 -22.22 46.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.984 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 44' ' ' ILE . 13.0 m -98.87 -42.88 6.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.008 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 77.5 mt -90.51 -23.93 20.79 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -168.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 39.0 mt-10 -60.7 -48.45 93.13 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.377 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 40.8 Cg_endo -69.77 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.922 1.748 . . . . 0.0 112.404 173.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 21.3 tp -84.23 -44.76 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 62' ' ' LYS . 77.2 p -76.66 -15.45 59.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.435 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.13 2.26 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.273 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.518 ' HB3' HG21 ' A' ' 99' ' ' ILE . 93.5 mttt -77.23 -27.31 53.33 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.349 -0.22 . . . . 0.0 110.59 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.5 m-85 -84.66 -54.34 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.918 -176.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 56.81 -86.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.07 26.01 5.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -168.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.506 HD11 HD12 ' A' ' 99' ' ' ILE . 46.0 mt -66.55 94.27 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.091 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.15 -86.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.118 0.567 . . . . 0.0 112.33 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.8 44.01 1.0 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG13 ' HA ' ' A' ' 86' ' ' ILE . 12.8 m -82.1 110.86 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 11.8 mm-40 -93.8 108.03 19.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.53 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -94.84 96.48 9.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.377 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -116.84 115.55 25.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.124 0.487 . . . . 0.0 111.484 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 82' ' ' GLU . 63.0 mt -99.99 106.85 18.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.047 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 17.0 p -101.7 109.76 21.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.485 0.66 . . . . 0.0 110.982 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 42.2 m-85 -94.36 108.49 20.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.573 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -81.29 -76.84 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 0.0 111.45 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -145.59 -61.96 0.34 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.096 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -119.9 4.35 10.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 111.053 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -147.78 146.6 29.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.09 54.47 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.203 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.51 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 27.0 mt-30 -101.15 110.26 22.26 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.718 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.4 tt0 -83.8 86.29 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -90.2 96.88 10.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 82' ' ' GLU . 48.6 t -102.85 118.8 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.997 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.616 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 19.3 m -102.14 99.53 9.67 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.669 ' HA ' HG13 ' A' ' 69' ' ' VAL . 61.1 mt -93.53 113.2 27.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.54 108.27 6.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.741 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 76.9 mtp -91.72 3.19 55.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.93 -35.19 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -133.55 37.36 3.31 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.911 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -56.02 130.01 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.946 176.031 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.96 100.59 13.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 75.3 m-85 -73.88 1.26 11.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -89.88 -54.12 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.821 0.343 . . . . 0.0 110.165 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.88 -31.33 66.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.945 0.402 . . . . 0.0 110.596 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 HD12 ' A' ' 102' ' ' ILE . 8.8 tt -55.53 -30.99 61.71 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.513 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 81.7 mm-40 -61.9 -37.95 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.212 -177.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.47 -5.45 60.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.767 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 62' ' ' LYS . 92.0 mt -100.52 -80.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 m -81.79 -42.99 18.95 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.41 -48.8 1.53 Allowed Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 113.657 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.559 HD12 HD23 ' A' ' 96' ' ' LEU . 3.9 mp 61.71 78.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.998 0.904 . . . . 0.0 109.383 -174.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -87.56 26.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.461 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.7 t -85.64 -36.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.6 t -155.5 100.67 2.13 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.256 -1.338 . . . . 0.0 108.0 171.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -60.39 -30.09 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.385 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.51 -29.84 62.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.49 ' OD1' ' HG2' ' A' ' 117' ' ' GLN . 21.6 t0 -64.52 -48.64 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.44 -18.87 65.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 61.1 mttm -97.35 -11.2 24.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.47 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.79 -56.44 2.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.365 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 150.05 105.41 0.33 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.642 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.67 104.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.193 0.52 . . . . 0.0 111.188 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.4 p -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.939 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -70.05 -37.01 75.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.919 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.09 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.49 ' HG2' ' OD1' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -66.34 -61.87 1.77 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.097 174.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 13.4 mmt -46.3 -39.9 10.83 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.36 -60.58 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.955 0.407 . . . . 0.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.05 -32.45 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 111.577 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.6 t -71.51 -45.56 67.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.629 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -67.47 -36.38 81.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.824 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -67.84 -30.79 70.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.08 -31.81 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.007 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.21 -12.98 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.159 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.33 27.91 34.96 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.061 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.629 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.0 m-85 -83.78 143.88 29.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 0.0 110.381 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.798 ' HB3' ' HZ1' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -107.82 128.87 54.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.31 0.576 . . . . 0.0 110.785 -177.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -91.14 127.5 36.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.424 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -84.24 -33.2 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.788 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 28.0 ttmt 72.67 7.85 5.57 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.636 171.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.437 HD21 ' HE2' ' A' ' 9' ' ' LYS . 11.2 mt 63.59 35.12 11.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 133' ' ' GLU . 7.6 pt-20 -71.48 109.41 5.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.713 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -81.52 99.11 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.42 112.64 25.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -171.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -98.36 108.96 21.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -79.29 111.13 15.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -81.54 -29.15 33.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.202 178.197 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.72 129.06 1.08 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.413 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -92.22 21.7 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.023 0.44 . . . . 0.0 110.296 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.01 -26.15 63.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.402 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' HG2' ' HE2' ' A' ' 26' ' ' LYS . 43.7 mt-10 -81.73 109.46 16.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.545 ' OE2' ' HE3' ' A' ' 8' ' ' LYS . 34.4 tt0 -97.56 139.1 33.97 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.141 -173.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 m -101.6 114.16 27.95 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.936 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HG3' ' HE1' ' A' ' 115' ' ' MET . 19.5 mmtp -112.78 94.44 4.91 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.394 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 22.6 ttmm -88.83 144.3 26.32 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 8.6 p90 -131.66 143.06 50.02 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 168.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.8 p -120.77 106.2 11.46 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.799 -175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.03 110.98 22.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.977 0.418 . . . . 0.0 110.593 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -94.05 89.45 6.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD12 ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -110.38 105.23 14.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.491 0.663 . . . . 0.0 111.349 -177.684 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.5 57.05 6.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.38 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.643 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 79.8 -15.28 15.42 Favored Glycine 0 CA--C 1.517 0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.856 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.621 ' HB ' HD12 ' A' ' 14' ' ' LEU . 20.7 m -93.55 105.59 17.63 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.358 -0.495 . . . . 0.0 110.363 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 8.6 mt-10 -89.76 96.04 10.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.511 HG12 HG23 ' A' ' 37' ' ' THR . 40.1 mt -91.25 103.63 14.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.33 0.586 . . . . 0.0 109.793 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -108.68 99.58 8.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.048 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.67 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 66.5 mt -98.52 120.22 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.093 0.473 . . . . 0.0 110.47 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.501 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 7.0 m -98.73 103.73 15.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.318 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.657 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 41.4 t -96.15 101.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 169.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.9 p90 -114.46 155.6 26.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.843 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 39.6 ttmt -133.87 108.3 8.36 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.768 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.56 -118.52 4.68 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -171.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.31 -8.18 13.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.103 0.452 . . . . 0.0 111.82 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.599 ' HD2' HD23 ' A' ' 31' ' ' LEU . 22.9 ttmt -99.51 133.7 43.46 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.264 177.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 24.3 t -79.75 101.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.7 mt -80.49 -26.01 38.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.609 -171.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 68.7 mttm -136.47 117.06 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.632 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -108.12 102.06 11.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.627 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 53.2 m -85.29 102.67 13.56 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.522 ' HA ' HG12 ' A' ' 21' ' ' ILE . 22.8 t -97.56 92.77 6.07 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.77 96.33 7.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.783 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.511 HG23 HG12 ' A' ' 19' ' ' ILE . 87.8 m -94.54 107.7 19.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.146 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 81' ' ' GLN . 34.9 ttmt -92.32 103.01 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.944 0.402 . . . . 0.0 110.528 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -100.4 124.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 25.7 mm-40 -73.07 153.15 40.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 175.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -59.59 -30.66 68.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 110.95 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 -25.01 63.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -83.09 -38.78 22.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.946 0.403 . . . . 0.0 110.78 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.496 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.1 tt -85.96 -27.97 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.02 46.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.163 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.496 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -90.87 128.52 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.605 0.24 . . . . 0.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 m -69.12 -44.47 72.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -132.97 -179.34 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.78 -34.11 73.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.5 -49.86 75.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.549 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.85 -36.79 85.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.691 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.08 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.92 -38.67 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -58.48 -25.5 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.7 m -94.02 -41.38 9.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.715 0.293 . . . . 0.0 111.284 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -82.19 -37.31 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -171.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 29.3 mt-10 -56.84 -53.18 67.63 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.765 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.3 Cg_endo -67.62 -16.41 46.76 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.742 1.628 . . . . 0.0 112.463 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.39 -41.74 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.5 m -63.46 -28.25 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.32 0.581 . . . . 0.0 110.016 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.47 -10.45 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.542 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -72.85 -23.83 60.8 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.036 0.446 . . . . 0.0 109.81 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.703 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.4 m-85 -79.65 -57.35 3.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 56.4 tttm 59.07 -93.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.127 174.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.462 ' OD1' ' HG2' ' A' ' 64' ' ' LYS . 21.9 m120 -139.7 39.09 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.344 0.127 . . . . 0.0 111.344 -175.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.703 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.4 mt -57.79 -40.04 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.571 0.7 . . . . 0.0 110.363 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 91' ' ' VAL . . . -168.49 -147.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.426 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.09 43.41 2.23 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.058 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.1 m -82.48 99.05 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.926 0.869 . . . . 0.0 110.564 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 9.6 tp10 -100.1 108.01 20.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.106 -175.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.85 108.04 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.244 0.545 . . . . 0.0 110.891 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 65.5 tttm -108.65 103.52 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.074 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.12 115.42 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.1 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.635 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -107.7 108.99 20.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 67.8 m-85 -97.57 102.23 13.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 m -88.45 -40.82 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.746 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -174.75 -79.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.962 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 78' ' ' THR . 16.3 m -115.81 19.67 15.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.414 1.102 . . . . 0.0 109.434 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.13 156.56 37.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.629 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.54 124.65 36.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.135 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.635 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 27.0 tt0 -102.44 120.14 40.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.196 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -83.63 94.6 8.13 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -78.56 91.5 4.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.25 130.61 44.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.964 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 4.1 m -112.59 102.97 11.02 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -99.8 109.44 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.767 0.318 . . . . 0.0 110.75 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -86.11 111.67 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.421 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.7 mmt -83.17 3.92 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.221 -171.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.66 -11.22 40.47 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.922 0.391 . . . . 0.0 110.477 176.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -130.63 -0.33 4.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.573 -176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -57.63 129.17 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -174.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.82 107.39 19.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.296 -0.865 . . . . 0.0 108.976 168.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.526 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 96.4 m-85 -72.08 -11.91 60.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.389 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.1 -42.54 69.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.041 0.448 . . . . 0.0 110.045 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 -32.22 43.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.192 0.52 . . . . 0.0 110.433 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -68.72 -17.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.76 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -57.22 -31.31 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.55 -47.48 5.12 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.919 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.676 HD11 HD13 ' A' ' 66' ' ' ILE . 10.1 pt -116.26 95.84 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.196 0.522 . . . . 0.0 110.776 178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.425 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 13.1 m -102.17 -35.21 8.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.082 0.468 . . . . 0.0 110.777 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.96 -5.63 78.49 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.39 104.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -98.26 29.55 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.115 0.483 . . . . 0.0 110.917 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.6 t -102.84 -81.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.922 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.455 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 18.9 m -129.76 128.21 41.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.65 59.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.47 -32.69 71.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.856 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' A' ' 105' ' ' SER . 14.0 m-20 -73.08 -34.29 66.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.63 72.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.065 0.46 . . . . 0.0 110.463 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.6 4.36 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 111' ' ' LYS . 34.6 ttmt -101.94 -39.37 7.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.834 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.04 108.35 2.41 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.423 ' CG2' ' HE1' ' A' ' 118' ' ' MET . 39.1 mm -75.04 112.44 12.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.471 0.653 . . . . 0.0 111.875 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 p -107.29 172.28 6.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.098 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.557 ' HE1' ' HG3' ' A' ' 8' ' ' LYS . 13.7 tpt -76.0 -31.1 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.563 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.63 85.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.763 174.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.44 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 1.5 tp60 -56.74 -64.56 0.83 Allowed 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.645 171.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.681 ' O ' ' HG2' ' A' ' 122' ' ' MET . 17.6 mmt -51.17 -46.77 62.19 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -55.05 -58.98 5.45 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.186 0.517 . . . . 0.0 111.343 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 0.0 111.524 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 4.0 t -76.68 -33.17 21.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.571 -174.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.681 ' HG2' ' O ' ' A' ' 118' ' ' MET . 30.9 mmt -66.73 -40.41 88.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.54 -30.43 71.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.903 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.91 50.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.481 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.73 -12.12 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.167 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 43.88 14.44 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.01 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -80.89 151.35 28.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.765 0.317 . . . . 0.0 110.541 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -94.55 111.46 23.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 134.4 45.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.606 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 90.4 t -133.37 78.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.158 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -63.97 147.04 52.98 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.178 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.86 164.16 26.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.595 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 135' ' ' HIS . 27.9 mt-10 -62.27 152.76 32.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.567 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -83.65 40.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 133' ' ' GLU . 23.1 t-80 -79.06 -10.85 59.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.521 -175.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -98.74 -67.64 0.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -99.07 94.66 6.64 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -80.18 52.0 1.49 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.269 0.557 . . . . 0.0 111.908 -173.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 67.3 t60 . . . . . 0 C--O 1.247 0.966 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.189 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.86 -63.87 0.51 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.65 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 3.5 m-20 -82.35 97.7 8.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.755 0.312 . . . . 0.0 110.595 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -118.16 127.66 53.97 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 2.2 mp0 -44.06 126.91 5.2 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.062 0.851 . . . . 0.0 112.022 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -100.79 129.84 46.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.196 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -104.77 131.36 52.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.807 0.337 . . . . 0.0 111.689 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 60.2 tttt -139.13 127.54 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD3' ' OG1' ' A' ' 22' ' ' THR . 36.2 ttpt -117.41 142.91 46.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.638 0.256 . . . . 0.0 110.82 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.593 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 16.0 p90 -130.12 148.62 51.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 46.4 t -137.86 115.46 11.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.226 0.536 . . . . 0.0 110.428 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.75 112.95 18.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.531 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -86.98 109.31 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 14' ' ' LEU . 1.6 pp -125.68 122.52 36.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 71.13 -39.86 0.46 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.6 0.76 . . . . 0.0 112.108 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' HB3' ' A' ' 43' ' ' SER . . . 158.43 -13.89 0.24 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 -176.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.493 HG22 HG13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -87.29 108.15 18.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.206 173.272 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 6.6 mt-10 -87.83 95.81 10.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.486 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.475 HG12 HG23 ' A' ' 37' ' ' THR . 63.6 mt -96.49 107.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -175.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -115.54 104.27 11.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.362 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.593 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 76.4 mt -100.43 113.05 34.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.559 -177.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.443 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 23.8 m -92.08 93.72 8.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.488 ' OH ' ' HD3' ' A' ' 8' ' ' LYS . 46.4 p90 -102.98 136.0 43.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.629 0.728 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 94.3 t -105.29 118.11 52.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 33.2 p90 -112.04 167.87 10.05 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.65 ' HE2' ' HB3' ' A' ' 3' ' ' ASP . 70.1 tttt -143.92 93.36 2.44 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.27 -115.62 4.07 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.485 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -103.17 -6.22 22.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.024 0.412 . . . . 0.0 111.694 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HD3' HD22 ' A' ' 31' ' ' LEU . 76.0 tttt -109.84 134.13 52.39 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.813 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.9 t -80.48 123.9 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 168.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.52 HD22 ' HD3' ' A' ' 29' ' ' LYS . 78.4 mt -106.86 -14.02 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -150.58 139.64 21.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -128.68 105.33 8.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -94.16 96.48 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.499 ' HA ' HG12 ' A' ' 21' ' ' ILE . 7.6 p -97.24 94.54 7.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.43 0.633 . . . . 0.0 110.47 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.76 111.63 23.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.113 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.475 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -109.02 113.36 26.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.218 0.532 . . . . 0.0 110.564 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 42.9 tttm -94.83 98.4 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.891 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.493 HG13 HG22 ' A' ' 17' ' ' THR . 4.0 mp -94.47 114.82 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.516 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.8 147.61 53.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' HA ' HG21 ' A' ' 44' ' ' ILE . 8.7 m-30 -64.07 -20.77 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.985 179.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.48 -28.16 60.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.667 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 11.2 p -91.33 -31.24 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 0.0 111.502 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.492 ' HB ' HG23 ' A' ' 39' ' ' ILE . 9.3 tt -81.51 -30.64 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 26.68 22.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.667 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -91.19 136.01 33.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.389 . . . . 0.0 110.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -102.96 -11.41 18.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -155.93 159.33 39.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.621 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 75' ' ' TYR . 36.7 ttpt -54.53 -56.57 17.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.623 0.249 . . . . 0.0 111.378 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -31.63 72.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.22 0.533 . . . . 0.0 110.378 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.12 -41.75 97.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.491 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.27 90.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.312 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.87 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.885 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.18 -20.58 55.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.639 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -98.85 -34.05 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD11 ' HE1' ' A' ' 75' ' ' TYR . 95.6 mt -87.14 -33.58 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -175.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.81 -52.65 65.73 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 -8.57 23.19 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.749 1.632 . . . . 0.0 112.54 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tt -90.7 -54.85 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.654 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 m -65.07 -25.16 67.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.832 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.78 -10.09 49.73 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.591 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.84 -23.59 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.38 22.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.668 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.75 90.0 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.421 0.688 . . . . 0.0 111.791 -177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 48.23 47.05 19.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.2 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.8 -48.15 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 122.044 0.926 . . . . 0.0 109.081 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . . . -151.89 -152.77 0.44 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.12 -1.4 . . . . 0.0 107.731 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.45 53.16 3.15 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.429 -1.069 . . . . 0.0 110.429 171.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 86' ' ' ILE . 17.0 m -89.38 108.05 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.432 0.634 . . . . 0.0 111.092 -173.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 8.3 mm-40 -93.83 116.02 28.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.28 177.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 115.34 30.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 0.0 110.686 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.5 mptp? -115.3 99.83 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.01 0.433 . . . . 0.0 111.053 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.87 98.81 9.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.681 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.694 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 78.0 p -102.86 119.79 39.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.077 0.465 . . . . 0.0 110.587 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HE1' HD11 ' A' ' 56' ' ' LEU . 44.6 m-85 -107.25 103.09 12.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.84 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -79.17 -69.77 0.55 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -161.49 -53.35 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.968 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -121.01 9.64 10.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -154.25 154.44 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.964 0.412 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.57 118.02 31.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.506 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.694 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 53.6 tt0 -98.08 100.42 11.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -86.45 92.6 8.9 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -85.9 102.88 14.12 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.15 142.02 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.056 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 19.3 m -131.56 100.16 5.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.503 HG12 HG13 ' A' ' 69' ' ' VAL . 65.0 mt -102.4 136.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.064 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -90.57 136.17 33.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.116 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.2 mmm -96.12 23.92 6.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.386 0.612 . . . . 0.0 109.987 -174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.22 -45.58 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.953 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 75.4 tttt -97.85 3.93 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.18 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -48.55 110.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.113 0.482 . . . . 0.0 112.203 -179.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -87.56 98.77 11.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 56.0 m-85 -71.7 -15.43 62.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.351 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' HD3' ' A' ' 94' ' ' LYS . 7.8 tmtm? -73.63 -44.59 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.22 81.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.011 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 2.0 mt -64.39 -23.19 67.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.409 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.11 -40.54 58.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.67 0.388 . . . . 0.0 111.61 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.26 3.88 69.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.962 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.3 mt -127.19 8.77 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 121.342 0.592 . . . . 0.0 110.676 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.6 m -71.7 99.9 2.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.038 0.446 . . . . 0.0 111.101 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.9 13.9 65.68 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.111 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.488 HD13 ' H ' ' A' ' 102' ' ' ILE . 4.4 mp -79.95 83.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -81.34 67.61 7.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.771 . . . . 0.0 110.737 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 121' ' ' VAL . 48.5 t -128.54 -45.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 172.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . 31.4 t -165.73 112.77 0.92 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.878 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -68.35 -28.56 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.359 0.6 . . . . 0.0 109.684 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.692 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 8.8 mp0 -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 105' ' ' SER . 0.1 OUTLIER -78.88 -42.48 27.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.451 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.25 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.692 ' HD2' ' HA ' ' A' ' 107' ' ' GLU . 94.7 mttt -60.7 -32.56 71.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.691 176.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -92.88 8.53 39.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.7 157.48 22.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.447 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.2 mm -110.04 129.83 64.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 111.208 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -127.59 172.04 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.52 -33.12 66.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.039 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.55 87.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.323 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.37 -62.33 1.67 Allowed 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.687 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.57 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -47.36 -36.23 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.203 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -61.71 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.784 0.326 . . . . 0.0 111.397 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -51.78 66.23 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.513 0.673 . . . . 0.0 111.322 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 104' ' ' VAL . 15.3 t -55.7 -43.92 75.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.906 -177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.658 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -69.36 -36.96 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.045 -0.409 . . . . 0.0 111.057 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.14 -23.13 61.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.201 0.524 . . . . 0.0 110.193 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -45.16 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.374 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.57 -25.27 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.153 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.05 25.16 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.295 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.658 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 10.5 m-85 -75.08 150.09 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.016 0.436 . . . . 0.0 110.114 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -98.35 95.25 7.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.803 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.02 124.12 22.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.494 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.3 t -107.01 90.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.439 ' HB2' ' HG2' ' A' ' 133' ' ' GLU . 14.4 ptpt -80.7 103.81 10.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.485 0.659 . . . . 0.0 110.474 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.818 ' H ' HD21 ' A' ' 132' ' ' LEU . 1.7 pt? -83.53 47.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.134 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.439 ' HG2' ' HB2' ' A' ' 131' ' ' LYS . 4.7 pt-20 -108.07 173.75 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.529 0.681 . . . . 0.0 111.954 -174.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -159.32 119.46 3.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 170.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.43 132.54 51.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 110.581 -178.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -77.49 88.81 3.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.265 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -149.77 82.49 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.247 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -157.96 27.88 0.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.904 -179.104 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.89 0.376 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.76 -117.81 2.5 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.766 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -89.03 -170.23 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -88.72 147.88 24.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -178.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.559 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 -107.36 112.74 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.49 . . . . 0.0 111.015 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.1 mm-40 -107.7 154.2 21.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.595 -176.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -118.91 118.42 31.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.71 0.29 . . . . 0.0 111.438 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 41.2 ttmt -113.16 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 58.8 tttp -97.91 141.1 31.3 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.677 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.2 p90 -130.65 153.2 49.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 51.9 p -135.3 133.01 38.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.147 0.499 . . . . 0.0 111.003 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.88 105.93 5.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.983 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 41.8 t-20 -83.04 102.55 11.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -116.73 112.68 21.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.64 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 64.99 21.01 12.25 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.346 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.37 -10.12 57.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.925 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 HG22 HG12 ' A' ' 39' ' ' ILE . 44.8 m -92.75 102.08 14.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.8 mt-10 -84.61 102.86 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 37' ' ' THR . 27.3 mt -90.68 105.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -112.71 92.73 4.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.444 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.677 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 50.7 mt -93.71 116.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.224 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 3.1 m -102.14 96.6 7.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.315 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 36.3 p90 -99.69 130.59 45.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.708 0.766 . . . . 0.0 111.447 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 t -96.3 122.77 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.812 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -121.88 148.98 44.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.377 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' HG3' HD13 ' A' ' 31' ' ' LEU . 34.4 mtpt -126.42 101.91 6.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.31 -115.82 4.11 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -170.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.68 8.12 12.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 110.547 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD2' ' HG ' ' A' ' 31' ' ' LEU . 12.8 ttmt -100.31 139.19 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' SD ' ' A' ' 88' ' ' MET . 11.7 t -98.3 123.57 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 26' ' ' LYS . 5.8 mp -109.7 -19.42 13.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -170.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 97.5 mttt -139.14 118.1 12.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.601 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 52.6 tt0 -107.2 92.41 4.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -86.65 99.79 11.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.164 0.507 . . . . 0.0 109.706 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.769 ' HG ' ' HB ' ' A' ' 84' ' ' VAL . 20.6 p -97.32 96.86 8.67 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 28.7 tt0 -107.64 104.68 14.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.0 -175.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.659 ' HG1' ' HB3' ' A' ' 82' ' ' GLU . 1.4 p -96.56 112.79 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.657 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 54.3 tttm -87.57 86.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.565 0.698 . . . . 0.0 109.403 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 17' ' ' THR . 47.6 mt -86.86 113.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.297 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 29.3 mm-40 -72.79 144.69 47.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 4.5 m-30 -61.72 -21.43 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.37 71.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.205 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -75.74 -43.75 45.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.494 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.2 tt -75.34 -30.07 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.31 34.58 7.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.785 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -122.6 162.11 22.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -128.29 -32.47 2.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.352 0.596 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.452 ' HB ' ' OE2' ' A' ' 50' ' ' GLU . 1.8 p -93.32 147.88 22.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.939 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -61.84 -42.66 99.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.985 -173.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 1.3 pm0 -79.91 -19.73 47.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.542 -175.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -77.91 -22.46 49.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.512 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 -38.09 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.573 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -58.76 -38.98 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.273 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 63.7 mttp -51.53 -34.77 37.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.626 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.494 ' HB ' HD11 ' A' ' 44' ' ' ILE . 10.6 m -96.77 -33.55 11.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.833 -175.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 71.9 mt -89.35 -26.28 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 43.9 mt-10 -60.12 -50.88 84.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 O-C-N 122.012 -0.43 . . . . 0.0 111.642 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 37.9 Cg_endo -68.53 -9.75 26.99 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.188 1.925 . . . . 0.0 112.269 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 24.5 tp -76.0 -52.89 9.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -66.31 -33.08 74.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.159 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.9 -2.59 2.71 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.582 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -80.86 -15.69 55.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.7 m-85 -85.7 -57.71 2.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HB2' ' HZ3' ' A' ' 64' ' ' LYS . 3.0 ttpm? 55.01 48.84 18.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.55 171.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 50.77 59.65 4.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.332 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.9 mt -58.57 -41.13 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 111.08 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 90' ' ' LYS . . . -148.17 -91.57 0.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.279 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.2 7.29 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 86' ' ' ILE . 9.3 m -86.9 110.33 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.68 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -106.83 112.44 25.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.75 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.85 129.05 40.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.52 103.65 5.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 111.762 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.12 107.09 13.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 29.4 p -105.5 109.17 21.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 71.8 m-85 -91.68 126.59 36.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.19 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.6 m -97.06 -60.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.491 . . . . 0.0 110.451 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -179.31 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.324 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 m -93.12 -0.38 57.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.68 0.752 . . . . 0.0 110.32 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 p90 -159.67 161.62 34.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.582 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.94 132.3 47.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.944 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 22.6 mt-30 -103.14 115.36 30.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.659 ' HB3' ' HG1' ' A' ' 37' ' ' THR . 8.6 tp10 -92.06 108.42 19.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -98.38 100.53 11.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.715 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.769 ' HB ' ' HG ' ' A' ' 35' ' ' SER . 53.8 t -104.91 113.07 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.178 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 7.2 m -97.62 104.5 16.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.65 ' HA ' HG13 ' A' ' 69' ' ' VAL . 70.4 mt -94.35 108.91 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.568 ' O ' HG11 ' A' ' 91' ' ' VAL . 10.9 t70 -72.5 112.94 9.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.601 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 53.8 mtp -95.23 25.07 4.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -113.15 -36.19 5.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.42 0.629 . . . . 0.0 109.679 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 7.3 tmtt? -106.87 9.28 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.399 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -54.93 140.29 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -176.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.18 102.9 13.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.988 -1.005 . . . . 0.0 108.571 169.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 70.2 m-85 -71.35 -17.82 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -174.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 28.1 ttpt -57.65 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.48 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.583 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 14.5 tp -58.38 -34.84 71.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.63 -27.56 66.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.393 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.75 4.83 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.565 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.85 -42.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m 64.85 -73.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.957 0.903 . . . . 0.0 112.421 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.72 9.43 86.82 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.458 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.44 131.67 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.01 84.58 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.081 0.467 . . . . 0.0 110.035 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.511 HG23 ' H ' ' A' ' 105' ' ' SER . 7.6 p -170.15 171.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.085 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.511 ' H ' HG23 ' A' ' 104' ' ' VAL . 45.6 m -73.15 142.1 47.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -63.54 -21.81 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -55.23 -39.87 70.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.624 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.46 -33.77 71.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.325 0.583 . . . . 0.0 109.961 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -34.76 62.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.231 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 99.4 mttt -60.57 -34.09 73.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -93.75 7.61 44.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.837 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.41 134.06 8.25 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.953 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.873 HG22 ' HE2' ' A' ' 118' ' ' MET . 48.8 mm -103.88 126.71 58.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.757 0.313 . . . . 0.0 110.439 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -121.51 -171.99 2.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 15.3 tpt -65.88 -35.71 81.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.25 86.74 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.486 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.451 ' HG2' HD13 ' A' ' 113' ' ' ILE . 4.7 mp0 -56.0 -73.81 0.05 Allowed 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.873 ' HE2' HG22 ' A' ' 113' ' ' ILE . 25.9 mmt -38.73 -49.11 1.57 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 115' ' ' MET . 16.7 mm-40 -57.09 -54.09 50.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.002 0.43 . . . . 0.0 111.193 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.89 -30.44 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.183 0.516 . . . . 0.0 111.675 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.94 -39.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.025 -173.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.699 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -73.1 -33.8 65.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 177.149 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.91 -35.63 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -44.0 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.984 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.04 -27.21 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.6 43.09 3.0 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.071 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.699 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 23.5 m-85 -103.65 139.89 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -103.09 144.76 30.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 142.03 32.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.256 0.55 . . . . 0.0 110.699 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.6 t -111.58 88.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -78.34 94.25 4.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.428 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 132' ' ' LEU . 1.5 pt? -57.82 121.5 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -176.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 67.05 90.3 0.1 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.022 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -76.98 93.78 3.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.478 173.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -85.33 132.47 34.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -129.05 134.96 48.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -95.98 -56.36 2.68 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -162.51 -72.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.3 p80 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.379 173.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.438 0.161 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.478 ' HA3' ' HG3' ' A' ' 6' ' ' GLU . . . -114.44 -175.57 18.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.164 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -155.96 -50.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -136.03 110.8 8.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.077 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 54.24 80.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.948 0.78 . . . . 0.0 111.344 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' HG3' ' HA3' ' A' ' 2' ' ' GLY . 60.5 mm-40 -97.54 124.12 41.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.441 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -96.26 118.39 32.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.231 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -113.16 119.25 37.16 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.644 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 44.4 tttp -115.15 146.28 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.798 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.652 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.3 p90 -146.51 155.82 42.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 48.2 t -148.01 122.53 9.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.123 0.487 . . . . 0.0 110.352 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.29 119.1 30.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.176 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -79.69 94.31 5.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HB2' ' HG1' ' A' ' 17' ' ' THR . 60.4 mt -81.51 69.55 8.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 71.38 -55.35 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.044 0.938 . . . . 0.0 111.362 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.52 -39.93 0.19 Allowed Glycine 0 C--N 1.314 -0.677 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.213 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 ' HG1' ' HB2' ' A' ' 14' ' ' LEU . 3.8 p -81.08 110.96 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.017 0.437 . . . . 0.0 111.295 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.9 mt-10 -85.16 94.62 8.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' SER . 44.8 mt -93.24 102.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -111.74 102.98 11.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.452 0.644 . . . . 0.0 109.758 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.652 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 61.6 mt -98.16 127.66 50.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 m -114.74 93.77 4.47 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.363 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.853 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 4.6 p90 -101.55 114.36 28.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 111.384 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -85.98 120.35 35.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.921 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -112.49 155.86 23.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -123.1 96.2 4.91 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.53 -116.12 4.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.078 -174.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.44 -12.96 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.994 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -97.67 122.91 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.129 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.64 126.18 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -110.29 -61.99 1.58 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -112.51 116.57 30.46 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.63 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.853 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 28.3 tt0 -113.32 98.87 7.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 p -85.62 103.51 14.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.592 0.711 . . . . 0.0 110.144 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.486 ' HA ' HG12 ' A' ' 21' ' ' ILE . 8.2 m -97.99 96.99 8.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.581 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -99.12 109.16 21.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.426 HG22 HG12 ' A' ' 19' ' ' ILE . 26.5 m -99.7 114.02 26.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.306 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 38.7 tttm -102.17 114.61 28.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.497 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.436 HG13 HG22 ' A' ' 17' ' ' THR . 3.5 mp -115.21 129.49 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.391 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -81.82 156.41 24.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -61.01 -30.55 70.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.585 0.231 . . . . 0.0 111.474 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.53 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 111.245 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -81.99 -38.97 24.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 46' ' ' ALA . 10.4 tt -81.0 -33.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.978 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.04 15.76 53.04 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.169 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.586 ' H ' HG22 ' A' ' 44' ' ' ILE . . . -87.42 131.62 34.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 110.632 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 -14.36 38.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.247 0.546 . . . . 0.0 110.575 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.569 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 32.0 p -140.97 161.89 36.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.789 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -76.98 -19.71 56.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.569 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 24.4 mp0 -66.08 -48.59 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.166 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HA ' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -72.63 -25.06 61.15 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.564 176.037 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.45 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.88 83.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.187 0.518 . . . . 0.0 110.083 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 51' ' ' ASP . 54.4 tttt -51.4 -30.37 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.796 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.6 m -92.16 -41.4 10.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.7 mt -84.68 -39.28 18.75 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 49.6 mt-10 -49.53 -53.03 44.91 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -175.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.8 Cg_endo -61.31 -16.08 44.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.197 1.932 . . . . 0.0 113.093 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.81 -46.6 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.364 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -64.63 -32.56 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.312 0.577 . . . . 0.0 110.097 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.82 -4.66 21.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 28.4 mtpp -72.54 -28.0 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.652 ' O ' HG13 ' A' ' 66' ' ' ILE . 91.2 m-85 -76.07 -37.76 57.85 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 171.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 43.1 tttm 57.57 -92.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.342 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.487 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 2.0 t-20 -172.03 37.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.652 HG13 ' O ' ' A' ' 63' ' ' TYR . 22.2 mt -50.03 -37.91 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.442 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -151.04 -146.01 0.19 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 30.0 1.29 Allowed Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.978 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.788 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.4 m -86.3 102.49 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 110.478 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -93.63 140.79 29.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.495 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 93.77 4.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.624 0.726 . . . . 0.0 110.054 172.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 4.5 ttmp? -100.35 96.95 7.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.371 0.605 . . . . 0.0 109.711 -176.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -86.65 110.59 19.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.467 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 17.4 p -101.63 109.14 20.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.466 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -94.06 105.67 17.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.208 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.2 m -110.4 146.9 35.03 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.99 -7.9 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 111.724 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -104.48 -30.27 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.862 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -161.92 151.61 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.27 117.6 31.59 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 4.8 tt0 -104.97 120.03 40.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 110.574 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -87.34 91.72 8.82 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.536 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 15.4 t-20 -81.1 104.01 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.377 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -108.4 133.44 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.922 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 49.2 m -109.3 107.97 18.38 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.79 99.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.496 ' O ' HG11 ' A' ' 91' ' ' VAL . 32.7 t0 -93.37 111.3 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.033 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.6 mmt -80.23 6.96 10.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.484 -168.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE2' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -101.86 1.31 36.87 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.296 -174.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HB2' ' OE2' ' A' ' 89' ' ' GLU . 82.6 tttt -143.96 3.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.712 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -67.7 148.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -115.91 104.43 11.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.648 168.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -66.32 -19.85 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.705 ' HZ1' ' HB3' ' A' ' 94' ' ' LYS . 6.7 ttpm? -61.26 -35.85 78.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.71 -25.57 19.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.423 . . . . 0.0 110.83 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.493 ' O ' HD21 ' A' ' 96' ' ' LEU . 3.6 tt -66.39 -32.27 73.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.626 ' HA ' ' HA2' ' A' ' 101' ' ' GLY . 13.3 pt20 -65.66 -24.5 67.03 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.603 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.0 -19.21 75.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.41 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.401 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 37.4 mt -85.98 -76.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.404 0.621 . . . . 0.0 110.057 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.8 t -119.85 -33.68 3.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.587 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.626 ' HA2' ' HA ' ' A' ' 97' ' ' GLN . . . 65.29 5.9 24.07 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.24 -171.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.602 HD13 ' HB3' ' A' ' 109' ' ' ALA . 67.8 mt 58.55 84.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.612 0.72 . . . . 0.0 109.554 -173.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -78.24 29.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.802 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 102' ' ' ILE . 46.3 t -101.81 -36.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 171.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 p -175.32 108.38 0.1 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.431 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.77 -26.32 68.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.504 . . . . 0.0 110.146 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.412 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 11.7 tp10 -52.14 -38.62 58.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.07 175.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.54 -44.85 70.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -172.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.602 ' HB3' HD13 ' A' ' 102' ' ' ILE . . . -65.65 -34.13 77.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.545 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -77.72 -15.15 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.827 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 107' ' ' GLU . 53.6 mtmt -95.63 -30.79 13.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.424 . . . . 0.0 111.054 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.95 120.41 4.36 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.39 119.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 0.0 112.234 -171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.8 p -122.3 172.3 8.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.4 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 22.4 tpp -68.62 -40.85 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.338 -0.145 . . . . 0.0 110.796 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.9 -45.46 67.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.136 0.494 . . . . 0.0 110.292 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.64 -63.3 1.21 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.811 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.575 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.4 mmt -49.5 -28.45 5.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.45 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.792 0.33 . . . . 0.0 111.319 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.4 -30.18 68.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.15 -43.69 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.87 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.602 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.91 -32.57 67.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.651 178.305 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.81 -22.51 59.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.308 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.93 64.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.432 175.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.01 -26.79 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.92 32.18 11.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.089 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.602 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.0 m-85 -76.3 152.24 36.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.024 0.44 . . . . 0.0 111.19 -178.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -92.23 112.54 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.272 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -70.22 136.9 50.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.0 110.861 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 39.5 t -126.98 83.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.41 121.07 15.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.779 HD11 ' H ' ' A' ' 132' ' ' LEU . 0.6 OUTLIER -72.52 102.42 3.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -172.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -99.93 10.16 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.249 0.547 . . . . 0.0 109.985 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.85 144.32 50.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.182 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -100.5 158.11 16.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -101.28 -11.8 19.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.985 0.422 . . . . 0.0 110.787 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -78.64 117.68 20.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.194 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -148.7 168.38 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 62.3 m80 . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.295 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.59 87.71 0.44 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.678 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.67 -74.19 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.019 0.438 . . . . 0.0 110.157 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 98.4 mttt -117.67 138.66 51.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 171.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 63.5 -173.49 0.16 Allowed 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.885 0.74 . . . . 0.0 109.084 -165.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 9.6 tp10 -139.15 142.77 37.99 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.952 -0.467 . . . . 0.0 110.499 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.1 p -116.92 119.24 34.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.321 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -112.98 112.31 23.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.36 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -101.92 137.96 39.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.214 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p90 -144.54 162.07 37.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 171.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.527 ' OG ' HG23 ' A' ' 130' ' ' VAL . 52.2 p -154.42 121.67 5.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.43 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.42 114.48 22.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -90.88 104.96 17.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.671 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.42 24.93 2.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.026 0.441 . . . . 0.0 110.397 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 59.26 91.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.111 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 -35.38 4.13 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 16.2 p -128.04 131.5 49.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.758 0.313 . . . . 0.0 110.992 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 18.6 mt-10 -103.03 107.64 18.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.2 mt -99.1 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.109 0.481 . . . . 0.0 110.044 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.15 114.9 25.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.318 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 36.7 mt -113.11 129.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -112.8 107.43 16.05 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.44 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 7' ' ' SER . 60.9 m-85 -87.45 111.26 20.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.899 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 96.3 t -96.26 103.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 52.5 p90 -122.93 153.21 40.0 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.481 -173.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 17.9 ttmm -114.48 91.1 3.51 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.76 -116.12 5.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.649 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -84.79 -23.71 29.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.472 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 107.8 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.543 -171.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 48.5 t -76.49 119.07 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -102.35 -35.76 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.919 -173.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 66.7 mttm -129.21 117.58 20.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.011 0.434 . . . . 0.0 110.944 177.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -107.55 101.32 10.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 29.0 m -88.11 91.36 8.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.769 176.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -108.16 101.9 11.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -101.52 136.52 41.23 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.521 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 m -119.64 100.69 7.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 0.0 109.851 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.5 ttmp? -82.27 108.34 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.483 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG12 HG21 ' A' ' 17' ' ' THR . 50.0 mt -99.82 126.27 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.314 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -78.56 155.11 29.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -74.83 60.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 110.857 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.9 -44.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 m -78.97 -7.42 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.766 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.611 HG21 ' H ' ' A' ' 46' ' ' ALA . 11.0 tt -106.93 -26.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.588 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.34 8.56 87.49 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.783 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.611 ' H ' HG21 ' A' ' 44' ' ' ILE . . . -72.02 121.92 19.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 m -71.03 -48.09 54.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 168.59 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -64.46 -25.63 68.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.051 0.453 . . . . 0.0 109.844 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' CD ' ' HZ2' ' A' ' 54' ' ' LYS . 5.4 tm-20 -62.45 -48.37 79.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.752 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 31.7 m-20 -62.91 -34.57 77.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.39 36.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.613 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.28 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.685 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 16.4 ttpt -56.72 -28.13 60.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.29 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 m -99.22 -38.34 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.821 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -87.61 -30.83 20.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 36.2 mt-10 -58.75 -50.0 90.39 Favored Pre-proline 0 CA--C 1.536 0.44 0 O-C-N 121.981 -0.45 . . . . 0.0 112.208 -177.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 28.2 Cg_endo -65.71 -13.34 39.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.885 1.723 . . . . 0.0 112.506 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 tt -91.94 -41.5 10.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.306 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.438 ' HG ' HD13 ' A' ' 73' ' ' LEU . 11.1 p -67.72 -22.71 65.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.08 -6.01 5.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.147 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.723 ' HG2' HG21 ' A' ' 99' ' ' ILE . 36.5 ttpt -60.04 -38.05 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.027 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.1 m-85 -84.57 -29.93 25.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.633 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 28.5 ttmt 59.48 -96.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 6.0 p30 -172.2 37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 63' ' ' TYR . 17.4 mt -47.35 -45.82 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.243 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -145.97 -145.47 0.17 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.453 -176.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.503 ' HA3' ' CB ' ' A' ' 87' ' ' ASP . . . -78.12 36.91 1.73 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.614 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -93.95 100.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.262 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.58 121.13 40.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.295 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 96.62 7.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.398 0.618 . . . . 0.0 110.084 176.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -99.92 101.54 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.952 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' A' ' 60' ' ' SER . 75.9 mt -84.35 107.28 16.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.654 173.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.585 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.0 p -110.48 115.48 29.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.22 0.534 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -104.66 117.45 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.483 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.9 m -110.52 -40.47 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -164.8 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.87 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' HG21 ' A' ' 78' ' ' THR . 16.9 m -111.79 13.97 21.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.068 0.937 . . . . 0.0 109.634 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -143.67 147.99 35.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.745 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.07 124.99 45.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.143 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.585 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 47.7 mt-30 -98.19 114.68 26.99 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.348 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -85.29 84.07 7.78 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.419 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -82.53 102.38 11.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.11 -177.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.9 116.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.538 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 29.9 m -108.19 120.04 41.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.6 mt -113.22 108.38 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' CB ' ' HA3' ' A' ' 68' ' ' GLY . 4.6 t0 -84.53 109.0 17.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.54 16.06 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 1.43 21.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.26 0.552 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -135.8 -2.81 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.465 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.36 152.94 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 112.885 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -117.76 98.35 6.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.363 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -64.14 -20.75 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.381 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -66.05 -52.53 48.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.362 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.78 71.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.19 -22.22 66.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.692 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.36 -13.02 61.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.319 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.88 20.51 8.62 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.487 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.723 HG21 ' HG2' ' A' ' 62' ' ' LYS . 64.4 mt -129.84 -42.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.67 0.271 . . . . 0.0 111.636 -176.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.488 ' HB2' HG13 ' A' ' 102' ' ' ILE . 43.5 p -64.14 -53.66 46.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.278 0.561 . . . . 0.0 111.304 -176.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.28 26.24 60.0 Favored Glycine 0 C--N 1.317 -0.492 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.013 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.488 HG13 ' HB2' ' A' ' 100' ' ' SER . 61.0 mt -71.24 93.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.063 0.459 . . . . 0.0 110.036 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.84 28.39 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.752 0.787 . . . . 0.0 110.38 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.612 HG12 HG11 ' A' ' 121' ' ' VAL . 43.6 t -84.92 -63.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -138.08 96.39 3.19 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.92 167.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -61.48 -35.31 77.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.137 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 12.5 pt-20 -68.84 -23.33 64.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.975 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.65 -35.75 67.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 -176.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.09 -17.16 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.15 0.5 . . . . 0.0 110.376 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 94.6 mttt -84.31 -40.3 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.118 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 107' ' ' GLU . 89.6 mttt -70.63 -39.3 73.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.24 135.51 3.69 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.439 ' CG2' ' HE2' ' A' ' 118' ' ' MET . 43.9 mm -86.39 112.81 23.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.9 p -121.91 -173.9 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.214 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.731 ' HA ' ' HE2' ' A' ' 115' ' ' MET . 0.0 OUTLIER -66.16 -47.5 73.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 178.074 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.17 84.17 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.806 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.538 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -50.92 -64.8 0.7 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 174.549 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.439 ' HE2' ' CG2' ' A' ' 113' ' ' ILE . 19.0 mmt -54.79 -39.73 68.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.98 -58.78 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.46 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.88 0.848 . . . . 0.0 111.061 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.612 HG11 HG12 ' A' ' 104' ' ' VAL . 3.0 t -73.83 -43.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.921 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 118' ' ' MET . 16.5 mmt -75.27 -28.24 59.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 111.047 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.28 -31.62 69.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.34 81.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -25.15 53.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.54 45.33 6.16 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.236 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -96.73 176.04 6.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -124.79 136.78 54.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 111.089 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.36 146.98 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.166 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.527 HG23 ' OG ' ' A' ' 11' ' ' SER . 6.8 t -122.82 -35.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 56.37 -163.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.621 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.09 26.35 10.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.696 0.76 . . . . 0.0 109.588 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -120.02 146.07 46.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -0.66 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.26 160.56 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.736 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -107.89 163.38 13.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.701 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -87.48 112.91 22.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.841 0.353 . . . . 0.0 111.822 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -138.96 73.21 1.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 0.0 109.785 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.8 m80 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.217 176.369 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mmt . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 55.59 68.65 1.58 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -175.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -102.97 25.72 9.02 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -168.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -93.26 -19.72 21.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 165.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 42.8 mt-10 65.28 124.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.176 -167.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 5.0 mm-40 -97.15 116.05 28.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.336 0.589 . . . . 0.0 110.618 -164.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -101.6 112.77 25.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.783 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -113.15 117.76 32.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HE2' ' OG1' ' A' ' 22' ' ' THR . 37.5 ttmt -105.07 146.53 28.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.33 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 17.1 p90 -129.7 145.75 51.51 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 167.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 24.6 t -146.54 131.63 18.31 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.506 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.87 24.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.892 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.14 108.54 18.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.839 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 mt -82.52 -161.08 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -55.94 -35.39 66.59 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.27 23.46 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 7.6 p -136.66 130.63 32.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.866 0.365 . . . . 0.0 111.295 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 21.3 mt-10 -95.08 103.91 15.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 11' ' ' SER . 37.4 mt -97.45 104.88 16.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.285 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.16 104.31 9.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.316 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.684 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 45.8 mt -106.79 115.67 48.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.693 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' OG1' ' HE2' ' A' ' 9' ' ' LYS . 10.4 m -100.24 94.22 6.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.727 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . 13.3 p90 -88.69 127.4 35.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.512 0.672 . . . . 0.0 110.427 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 57.7 t -102.04 115.22 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.106 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 22.9 p90 -116.14 155.07 28.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.931 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -127.65 97.77 4.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.53 -115.63 4.08 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -105.4 -25.8 12.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 0.0 109.471 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.567 ' HB2' ' HZ2' ' A' ' 29' ' ' LYS . 4.5 ttmp? -76.43 123.49 26.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.781 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 17.3 t -84.35 128.05 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HD2' ' A' ' 29' ' ' LYS . 96.5 mt -113.07 -27.98 7.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 98.6 mttt -138.05 150.95 47.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 23' ' ' TYR . 36.6 tt0 -140.5 108.45 5.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -90.4 92.27 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.539 ' HA ' HG12 ' A' ' 21' ' ' ILE . 18.5 m -97.8 94.13 6.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.516 ' HG3' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -94.61 127.56 40.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.08 0.467 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.492 HG23 HG12 ' A' ' 19' ' ' ILE . 40.1 m -118.79 112.77 20.14 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.331 174.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.633 ' HB2' ' HZ2' ' A' ' 38' ' ' LYS . 4.3 ttmp? -91.94 102.14 14.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.04 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 4.5 mp -90.65 113.07 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.003 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HG2' ' A' ' 38' ' ' LYS . 7.6 mm100 -73.62 153.51 40.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.53 64.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 110.807 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.07 -67.35 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.784 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 m -70.0 -25.53 63.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.708 HG22 ' H ' ' A' ' 46' ' ' ALA . 11.4 tt -74.32 -24.62 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.68 77.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.317 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.708 ' H ' HG22 ' A' ' 44' ' ' ILE . . . -102.05 152.43 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.46 0.172 . . . . 0.0 110.607 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -134.62 4.31 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.922 0.391 . . . . 0.0 111.614 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -151.0 156.05 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.19 -41.67 96.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.807 0.276 . . . . 0.0 111.387 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.24 -47.68 84.93 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.385 0.612 . . . . 0.0 109.553 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 46' ' ' ALA . 17.5 t70 -62.61 -37.94 88.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.56 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.817 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 75' ' ' TYR . . . -60.38 -43.46 96.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.197 0.522 . . . . 0.0 110.201 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -61.0 -15.68 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.257 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -98.83 -35.56 10.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD12 ' HE1' ' A' ' 75' ' ' TYR . 71.6 mt -93.04 -25.41 17.95 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 4.8 mm-40 -53.75 -48.95 91.73 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.9 Cg_endo -60.3 -19.39 57.62 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.798 1.665 . . . . 0.0 112.562 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.27 -44.2 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 p -66.73 -27.59 67.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.254 0.55 . . . . 0.0 110.503 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 -11.45 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.462 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.86 -30.66 61.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.719 0.295 . . . . 0.0 110.348 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.423 ' HA ' HD11 ' A' ' 66' ' ' ILE . 87.5 m-85 -81.64 13.06 3.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.108 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -51.78 96.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.847 0.717 . . . . 0.0 112.317 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 52.83 46.49 26.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.361 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.466 HG22 ' HB2' ' A' ' 95' ' ' ALA . 59.7 mt -66.3 -38.77 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.989 0.9 . . . . 0.0 109.391 173.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.86 -149.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.023 -1.444 . . . . 0.0 108.372 -172.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.97 45.01 1.89 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.506 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.5 m -89.64 123.5 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 121.241 0.543 . . . . 0.0 110.325 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 32.7 mt-10 -119.95 93.02 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.47 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.6 pm0 -81.74 101.04 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.653 0.74 . . . . 0.0 109.63 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -100.1 103.44 14.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.059 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD11 ' OH ' ' A' ' 75' ' ' TYR . 51.4 mt -93.58 114.18 26.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.345 -175.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.649 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 79.4 p -118.31 114.66 23.31 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.623 ' HE1' HD12 ' A' ' 56' ' ' LEU . 90.6 m-85 -100.75 136.12 41.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.922 -175.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.0 p -115.96 -155.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.93 -24.03 17.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.8 m -110.15 -33.6 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.818 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -142.1 155.86 45.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.369 0.604 . . . . 0.0 111.86 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.49 119.94 40.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.318 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.649 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.9 OUTLIER -98.12 105.67 17.85 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.49 93.99 5.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.828 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.555 ' HB2' ' OE1' ' A' ' 81' ' ' GLN . 3.3 t-20 -88.38 106.31 18.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -96.78 104.96 16.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.403 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 20.3 m -92.89 103.13 15.49 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.15 112.49 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.357 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.579 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.6 t70 -79.35 114.81 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.8 mtt -88.91 12.44 15.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -95.28 -41.89 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.179 0.514 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -95.4 0.17 53.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.304 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.82 139.51 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.368 0.604 . . . . 0.0 112.53 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' CG ' ' HZ2' ' A' ' 94' ' ' LYS . 20.2 t70 -116.56 96.97 5.75 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.641 174.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -60.14 -37.62 80.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.318 -171.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HZ2' ' CG ' ' A' ' 92' ' ' ASP . 25.6 pttm -64.29 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.263 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB2' HG22 ' A' ' 66' ' ' ILE . . . -82.92 -39.06 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 0.0 110.378 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -23.81 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.54 -28.25 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 0.08 77.37 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.859 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 66' ' ' ILE . 4.1 mt -131.61 14.86 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.355 0.598 . . . . 0.0 110.019 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 p -74.0 91.14 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.335 0.588 . . . . 0.0 111.608 -174.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.67 25.76 24.97 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.928 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.6 mt -79.58 86.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.99 0.424 . . . . 0.0 109.916 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -88.68 31.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.638 0.732 . . . . 0.0 110.358 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.09 -67.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.1 m -151.72 92.42 1.75 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.307 171.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.9 -25.49 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.316 0.579 . . . . 0.0 110.525 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.561 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 10.5 mp0 -66.02 -14.66 62.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.633 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.468 ' OD1' ' HG3' ' A' ' 117' ' ' GLN . 24.3 t70 -70.44 -42.02 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.138 0.494 . . . . 0.0 109.905 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.34 -27.63 65.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.53 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.561 ' HD2' ' HA ' ' A' ' 107' ' ' GLU . 89.6 mttt -76.97 -17.92 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.902 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 111' ' ' LYS . 29.6 ttpt -91.38 -35.26 14.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.56 105.52 1.32 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.197 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.45 110.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.346 0.594 . . . . 0.0 110.957 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 179.72 5.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.294 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -57.7 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.747 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.48 72.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.675 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.5 mp0 -58.95 -64.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.48 176.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.85 ' HA ' ' HE3' ' A' ' 118' ' ' MET . 10.2 mmt -49.87 -37.96 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.459 0.474 . . . . 0.0 111.414 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.2 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.891 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.406 ' O ' HD21 ' A' ' 120' ' ' LEU . 5.4 tt -65.25 -41.47 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 0.0 110.428 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.675 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -66.68 -37.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.088 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 118' ' ' MET . 12.2 mmt -76.79 -29.25 55.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -64.14 -39.14 93.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.37 84.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.906 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.43 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.697 0.284 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 81.86 28.99 40.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.178 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.55 159.29 26.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.777 0.322 . . . . 0.0 110.285 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' SER . 39.5 mmtm -90.79 124.86 35.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.417 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -78.64 133.63 37.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.206 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.53 112.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.738 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -99.15 120.41 39.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.782 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.3 mp -92.71 -3.35 54.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.866 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -83.0 96.78 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -160.4 94.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.068 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.96 -177.92 3.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.649 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -78.66 102.83 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -142.19 170.18 16.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -108.14 153.58 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.262 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.1 p80 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.051 176.856 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.06 70.38 2.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.81 74.93 4.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.243 0.544 . . . . 0.0 110.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -144.49 161.44 39.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.015 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -71.39 107.88 4.55 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.749 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 10.5 tp10 -105.12 137.51 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t -96.13 116.08 28.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.296 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD3' ' HE1' ' A' ' 115' ' ' MET . 52.5 tttm -123.92 116.02 22.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 22' ' ' THR . 37.8 ttpt -116.06 139.52 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 111.826 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.671 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 17.6 p90 -126.61 167.11 16.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 170.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -154.74 118.67 4.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 0.0 110.38 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.11 133.21 55.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.691 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -92.75 96.19 10.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.49 101.11 13.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.605 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 63.6 18.52 11.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.85 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.78 -13.39 17.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.178 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 m -109.02 116.86 32.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.2 mt-10 -76.24 140.67 41.71 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.495 HG23 HG13 ' A' ' 21' ' ' ILE . 17.8 mt -126.08 101.4 8.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.31 99.97 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.881 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.671 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 40.1 mt -101.65 117.41 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 9' ' ' LYS . 3.9 m -104.87 101.17 10.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.833 174.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -103.75 128.02 51.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.651 0.738 . . . . 0.0 110.97 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 90.9 t -95.73 115.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.249 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -117.54 161.21 19.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.356 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -137.75 104.99 5.45 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -115.98 4.41 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -109.82 6.78 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.646 0.736 . . . . 0.0 109.595 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 34.6 ttmt -105.86 110.63 22.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.712 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.34 119.85 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.49 -21.62 13.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -170.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.58 135.53 14.66 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.409 ' HB2' ' HE1' ' A' ' 88' ' ' MET . 32.4 tt0 -123.03 108.32 12.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.751 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 6.4 p -92.78 94.73 9.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.357 0.599 . . . . 0.0 109.927 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -97.82 118.06 33.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.765 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.63 112.04 23.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.15 0.5 . . . . 0.0 110.118 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -98.24 111.38 23.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.925 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HB2' ' HZ3' ' A' ' 38' ' ' LYS . 4.7 ttmp? -94.59 111.04 22.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 111.203 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.61 119.94 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.749 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -73.57 140.25 46.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HA ' HG21 ' A' ' 44' ' ' ILE . 3.8 m-85 -59.61 -30.37 68.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 111.007 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.37 62.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.679 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -92.57 -31.45 15.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' HB ' ' A' ' 55' ' ' THR . 8.6 tt -87.51 -25.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.05 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.8 38.28 14.29 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.299 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.13 131.59 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.736 0.303 . . . . 0.0 110.806 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 m -92.87 -34.12 13.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.307 0.575 . . . . 0.0 109.979 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -123.16 171.38 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.164 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -73.46 -26.56 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -68.67 -36.38 78.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.15 -46.15 89.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.192 0.52 . . . . 0.0 110.048 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.67 -50.54 73.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.331 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -59.64 -44.73 93.4 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 7.4 ttpm? -57.49 -25.31 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -177.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 44' ' ' ILE . 2.6 m -99.25 -34.24 10.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.3 -27.43 22.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -173.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 20.3 mt-10 -56.74 -45.49 99.94 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 81.5 Cg_exo -43.13 -33.77 3.75 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.849 2.366 . . . . 0.0 113.333 170.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.49 -45.65 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.952 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 57' ' ' GLU . 62.3 p -67.81 -28.47 67.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 111.584 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.87 29.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.88 -2.57 58.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.87 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 75.9 m-85 -89.47 2.15 54.92 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -55.62 106.61 0.26 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.306 0.575 . . . . 0.0 111.966 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.19 43.06 21.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.567 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 22.2 mt -78.6 -35.07 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.547 0.689 . . . . 0.0 109.675 173.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.84 -154.22 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.74 2.8 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 168.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 85' ' ' THR . 18.8 m -81.77 108.84 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.736 0.779 . . . . 0.0 110.685 -173.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.54 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 22.2 tt0 -93.34 102.98 15.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.841 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.17 121.78 38.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.596 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 99.0 mttt -125.2 97.09 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.124 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.6 mt -82.92 98.7 9.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 172.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 108.99 19.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.085 -171.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.65 102.26 13.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -79.96 -51.96 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.413 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.17 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.721 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -101.9 -6.7 23.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.251 0.548 . . . . 0.0 110.997 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -142.01 145.95 35.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 111.034 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.74 120.44 41.99 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.496 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -97.93 110.21 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -86.36 79.66 8.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 3.6 t-20 -82.16 102.97 11.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.498 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' CE2' ' A' ' 63' ' ' TYR . 32.2 t -111.57 130.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -175.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 14.6 m -110.58 103.48 12.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.002 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.97 107.33 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.572 0.225 . . . . 0.0 110.573 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.8 113.5 7.11 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.564 ' HA ' HG23 ' A' ' 91' ' ' VAL . 58.3 mtt -83.4 7.75 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.149 0.5 . . . . 0.0 110.594 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.52 -30.13 46.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.492 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -145.94 76.75 1.47 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.255 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 88' ' ' MET . 1.6 t -95.5 131.19 42.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.485 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -83.88 83.6 7.87 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.429 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 19.2 m-85 -61.72 -21.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.586 -174.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -73.64 -40.74 63.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.701 0.286 . . . . 0.0 110.454 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.86 -25.24 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 0.0 110.099 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.77 -27.24 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.11 -4.05 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.043 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.31 -21.44 51.84 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.713 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 pt -127.09 6.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 p -76.44 78.18 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.869 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.89 43.0 1.92 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.675 HG23 HG11 ' A' ' 104' ' ' VAL . 49.7 mt -79.22 98.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.185 -0.508 . . . . 0.0 110.21 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -84.75 86.88 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.318 0.58 . . . . 0.0 111.418 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.675 HG11 HG23 ' A' ' 102' ' ' ILE . 6.7 p -162.83 -44.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.7 173.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 p -175.37 159.99 2.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.766 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -95.33 -17.21 21.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.412 0.625 . . . . 0.0 109.752 176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 24.0 mt-10 -69.68 -25.26 63.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.513 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.87 -51.95 66.12 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 109.83 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.48 89.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.552 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 94.3 mttt -66.74 -39.05 87.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.791 0.329 . . . . 0.0 111.397 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 1.3 mptm? -72.63 -30.25 64.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.281 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.3 114.33 3.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.456 ' HA ' HE21 ' A' ' 117' ' ' GLN . 1.7 mp -62.44 124.23 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.519 0.676 . . . . 0.0 111.682 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.63 173.97 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.047 176.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.467 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 14.0 tpt -66.27 -40.28 90.03 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.29 -50.21 67.84 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.418 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 113' ' ' ILE . 16.7 mt-30 -59.22 -64.64 0.87 Allowed 'General case' 0 C--O 1.201 -1.48 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.262 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.617 ' O ' ' HG2' ' A' ' 122' ' ' MET . 7.9 mmt -39.19 -53.12 1.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 16.2 mm-40 -60.05 -51.13 70.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.83 -26.51 59.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.337 0.589 . . . . 0.0 111.437 -177.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.8 -38.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.375 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' A' ' 118' ' ' MET . 32.8 mmt -63.32 -41.88 98.95 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -64.31 -38.79 92.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.587 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.54 80.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.266 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 104' ' ' VAL . . . -71.39 -32.27 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.081 0.467 . . . . 0.0 110.874 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.18 38.48 4.55 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.79 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -83.88 147.07 27.73 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.476 ' HB2' ' HE3' ' A' ' 128' ' ' LYS . 34.7 ttmt -104.07 125.64 50.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.056 0.455 . . . . 0.0 110.879 -175.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.71 144.69 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.026 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.15 -34.34 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 58.21 26.03 13.31 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.743 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.3 mt 64.97 100.33 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.74 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 134' ' ' HIS . 1.0 OUTLIER -109.77 176.61 5.01 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.574 ' H ' ' CD ' ' A' ' 133' ' ' GLU . 0.3 OUTLIER 60.48 63.09 1.41 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.554 . . . . 0.0 110.581 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -78.14 150.17 33.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.045 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 62.59 -93.88 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.912 170.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -159.77 -80.7 0.05 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.103 0.477 . . . . 0.0 110.174 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.86 -63.96 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 171.633 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttp . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.737 0.303 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.62 70.56 0.83 Allowed Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.74 -179.85 5.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 110.372 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -160.24 -62.63 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.66 113.65 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 O-C-N 124.287 0.992 . . . . 0.0 110.774 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -112.03 149.34 32.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.721 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -130.81 121.14 24.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 131' ' ' LYS . 40.6 ttmt -122.61 119.85 32.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.772 0.32 . . . . 0.0 110.275 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 ttpt -101.49 121.82 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 5.4 p90 -107.33 147.01 30.83 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 26.3 t -147.13 114.68 6.36 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.997 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.35 120.13 35.12 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.315 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 16.8 p-10 -89.59 103.71 16.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.704 0.764 . . . . 0.0 109.967 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.13 93.0 5.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.134 -174.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.9 t30 59.46 66.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.337 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 17.78 78.7 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 113.234 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -134.57 104.27 6.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.2 mt-10 -91.84 99.6 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.459 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.505 HG12 HG23 ' A' ' 37' ' ' THR . 39.7 mt -91.13 108.45 19.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.454 -0.499 . . . . 0.0 109.758 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.04 108.57 16.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.987 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.591 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.6 mt -101.74 110.93 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.4 m -97.42 89.49 4.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.99 176.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.626 ' HE1' ' HE3' ' A' ' 115' ' ' MET . 18.0 p90 -91.47 126.6 36.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 111.277 -177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.89 121.1 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.263 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -129.8 154.62 47.05 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.35 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -134.34 104.17 6.03 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.37 -118.94 5.03 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.226 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -106.84 -1.77 22.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.567 0.698 . . . . 0.0 109.523 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HD2' HD22 ' A' ' 31' ' ' LEU . 2.8 tmtm? -92.99 111.57 23.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.149 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.5 124.49 37.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' HD2' ' A' ' 29' ' ' LYS . 85.2 mt -102.41 -41.62 6.26 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -170.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.5 127.65 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.517 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 44.9 tt0 -107.77 96.05 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.109 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 15.5 m -85.41 91.32 8.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.354 0.597 . . . . 0.0 109.877 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.471 ' HA ' HG12 ' A' ' 21' ' ' ILE . 34.6 t -97.37 101.05 12.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.838 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 37.3 mt-10 -101.31 108.59 20.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.945 0.402 . . . . 0.0 110.753 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 14.5 m -92.61 101.94 14.36 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 6.7 tppt? -82.07 101.61 10.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.82 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mt -102.31 115.61 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 -175.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.05 143.24 49.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.468 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.0 m-30 -64.48 -14.9 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.15 72.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.7 0.286 . . . . 0.0 111.422 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 m -85.28 -23.46 28.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.422 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' HA ' ' A' ' 41' ' ' PHE . 11.8 tt -99.79 -25.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.006 0.432 . . . . 0.0 111.255 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.68 34.07 14.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.758 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -102.51 147.02 27.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -102.61 -38.9 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.514 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -138.16 -179.45 5.79 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.654 0.264 . . . . 0.0 110.661 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.685 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 7.4 ptpp? -60.6 -33.57 72.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.953 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.08 -36.54 77.73 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.323 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -55.61 -48.38 75.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.854 0.835 . . . . 0.0 109.32 175.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.79 95.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.046 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.46 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -55.94 -23.19 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.357 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.5 m -98.02 -49.68 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.774 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 mt -93.13 -9.84 38.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.447 ' HA ' ' HG ' ' A' ' 60' ' ' SER . 47.7 mt-10 -71.39 -45.51 13.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 121.441 -0.787 . . . . 0.0 110.753 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -48.95 -31.94 21.68 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.163 1.909 . . . . 0.0 111.823 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -75.12 -46.64 33.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.447 ' HG ' ' HA ' ' A' ' 57' ' ' GLU . 3.9 p -66.62 -17.04 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.955 178.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.485 ' O ' ' HD2' ' A' ' 64' ' ' LYS . . . -72.0 1.02 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.824 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -88.73 -43.4 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 174.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.475 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 78.0 m-85 -90.95 3.19 55.31 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -174.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -59.38 105.5 0.35 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.045 0.926 . . . . 0.0 111.619 -171.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 50.3 65.16 1.52 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.782 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 30.1 mt -95.95 -77.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.52 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -121.85 -145.14 0.35 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.011 177.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.538 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . -75.94 48.96 2.44 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 171.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.13 101.63 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.56 0.695 . . . . 0.0 110.151 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.523 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.6 mt-10 -95.21 107.25 19.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.549 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' OE2' ' HB3' ' A' ' 60' ' ' SER . 77.4 tt0 -110.47 129.27 55.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.04 0.447 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 51.0 tptt -132.4 106.65 8.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.81 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -91.88 99.69 12.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.775 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.569 ' HG1' ' HB3' ' A' ' 81' ' ' GLN . 68.0 p -101.78 108.95 20.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.685 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -119.87 120.65 37.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.566 0.698 . . . . 0.0 112.231 -176.343 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 m -100.28 161.81 13.36 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -77.44 58.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.334 0.587 . . . . 0.0 110.812 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.522 HG22 ' CD2' ' A' ' 79' ' ' TYR . 5.2 t -171.58 -35.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 78' ' ' THR . 44.0 p90 -153.05 153.15 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.305 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.47 127.63 54.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.187 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HB3' ' HG1' ' A' ' 74' ' ' THR . 33.4 tt0 -98.81 108.77 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.139 0.495 . . . . 0.0 109.904 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 20.4 tt0 -83.76 84.93 7.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.933 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 22.3 t-20 -81.02 101.59 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.037 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' SER . 22.7 t -107.67 147.37 12.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 23.6 m -143.0 106.54 4.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.1 mt -98.11 108.8 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.008 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.538 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 8.7 t70 -74.42 122.01 22.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.522 ' HA ' HG22 ' A' ' 91' ' ' VAL . 52.3 mtt -91.54 22.67 3.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.045 -173.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.91 -19.88 10.78 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.467 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -114.13 -12.15 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -61.67 137.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.5 104.23 14.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.903 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 8.9 m-85 -63.22 -13.92 43.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.115 -173.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -64.19 -38.33 90.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 0.0 110.639 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.57 -28.68 20.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 109.832 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 10.0 tp -58.83 -30.03 67.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.61 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.56 -38.04 68.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.548 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.62 -18.48 63.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.0 pt -126.19 38.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.8 m -72.11 100.53 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.01 0.433 . . . . 0.0 110.685 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.68 -6.96 60.39 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.067 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.45 88.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.87 67.09 6.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 0.0 110.699 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.4 t -141.53 -74.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 109.835 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.9 m -137.76 138.86 39.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.977 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.98 -30.49 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.108 0.48 . . . . 0.0 111.32 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.465 ' HA ' ' HG3' ' A' ' 110' ' ' LYS . 29.9 mt-10 -79.9 -3.49 48.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.432 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.08 -33.76 65.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.73 64.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.82 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 107' ' ' GLU . 96.7 mttt -67.21 -37.18 83.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.721 175.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -78.64 -53.33 7.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.16 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.81 115.03 1.6 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.453 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.495 HG21 ' HE2' ' A' ' 88' ' ' MET . 1.7 mp -62.9 118.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.762 0.792 . . . . 0.0 110.802 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.85 172.51 10.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.365 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.626 ' HE3' ' HE1' ' A' ' 23' ' ' TYR . 13.3 tpt -67.29 -43.62 81.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.331 -173.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.04 71.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.687 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.32 -64.01 1.1 Allowed 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.47 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 mmt -44.57 -41.07 6.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.414 ' OE2' ' HE1' ' A' ' 115' ' ' MET . 61.4 mm-40 -61.72 -57.94 9.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -76.43 -27.3 56.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.364 0.602 . . . . 0.0 111.304 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 t -72.54 -46.9 53.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.501 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.692 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.45 -26.48 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 175.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.28 -35.41 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.492 174.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.69 -37.92 67.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.24 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.37 32.47 7.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.505 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.692 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.1 m-85 -90.0 139.21 30.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 110.314 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -99.17 127.39 45.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 123.28 32.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.365 0.602 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.55 -16.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.059 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 8' ' ' LYS . 44.8 mtpt 66.42 -170.3 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 -176.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -162.94 95.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -128.2 172.63 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.29 108.73 5.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.713 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -95.37 -22.93 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.287 0.565 . . . . 0.0 109.5 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -95.59 92.01 6.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.643 176.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -144.31 99.17 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.429 . . . . 0.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -146.48 173.76 12.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.023 -178.235 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.46 144.77 12.46 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.43 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.12 155.27 28.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 2.7 mptp? -86.32 93.5 9.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.344 -172.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 69.52 106.72 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.988 0.805 . . . . 0.0 110.665 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CD ' ' HH ' ' A' ' 25' ' ' TYR . 29.2 tt0 -130.21 145.53 51.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 t -96.74 129.14 44.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.126 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -113.73 99.21 7.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG3' ' OG1' ' A' ' 22' ' ' THR . 46.1 tttp -95.5 108.74 21.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.586 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.748 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -115.6 152.34 33.27 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 173.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -148.34 130.17 15.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.81 113.05 16.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -82.49 104.87 13.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.85 174.18 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -76.67 54.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.164 0.506 . . . . 0.0 110.892 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.51 -54.88 0.22 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.867 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 HG12 ' A' ' 39' ' ' ILE . 8.2 p -115.28 146.04 41.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 111.768 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 7.0 mt-10 -105.35 102.22 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.488 HG12 HG23 ' A' ' 37' ' ' THR . 50.4 mt -98.34 118.58 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.988 0.423 . . . . 0.0 111.544 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.47 106.97 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.338 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.748 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 57.5 mt -108.78 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.715 0.769 . . . . 0.0 110.344 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.468 ' OG1' ' HG3' ' A' ' 9' ' ' LYS . 7.2 m -103.9 94.52 5.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.314 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -103.7 128.0 51.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.409 0.624 . . . . 0.0 111.232 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.9 t -95.3 127.14 47.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.716 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' HH ' ' CD ' ' A' ' 6' ' ' GLU . 44.6 p90 -118.6 145.65 45.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.322 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -117.63 92.92 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.62 4.96 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.524 -176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -99.26 3.6 46.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.633 0.254 . . . . 0.0 111.255 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -121.72 133.34 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.242 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG21 ' HG3' ' A' ' 118' ' ' MET . 21.5 t -84.21 133.48 29.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 172.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -119.7 -20.07 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -171.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -146.94 117.06 7.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.995 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 58.3 tt0 -108.51 106.85 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.433 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 7.1 m -89.09 102.78 15.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 33.2 t -106.83 103.32 12.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -112.59 104.29 12.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.28 0.562 . . . . 0.0 109.73 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.488 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -102.04 110.47 22.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 71.5 tttt -87.68 108.8 19.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.076 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 HG12 HG22 ' A' ' 17' ' ' THR . 46.4 mt -100.45 122.9 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.3 147.88 37.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.9 m-30 -64.79 -23.84 67.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.86 88.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.812 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 p -84.55 -27.45 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.4 tt -83.05 -29.2 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.389 . . . . 0.0 110.826 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.16 32.68 8.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.543 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -114.46 148.29 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 m -105.59 -32.77 8.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -134.11 179.26 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 5.4 tmmm? -65.8 -35.46 80.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.66 -51.73 58.9 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.793 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.24 -41.24 90.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.01 92.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.607 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.23 76.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -62.82 -12.02 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.619 0.247 . . . . 0.0 111.577 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.3 m -99.26 -43.65 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 111.267 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.71 -33.83 17.4 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 71.5 mm-40 -55.5 -50.25 87.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -70.96 -11.84 29.82 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.931 1.754 . . . . 0.0 112.414 174.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.4 tt -84.17 -41.24 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 13.0 p -70.81 -26.96 63.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.278 0.561 . . . . 0.0 109.919 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -67.96 -9.91 49.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.278 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.25 -30.99 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 110.219 175.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 37.8 m-85 -76.44 -57.94 3.57 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HB2' ' HZ1' ' A' ' 64' ' ' LYS . 6.1 mtmp? 65.26 -178.35 0.18 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.309 -174.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -86.53 71.59 10.39 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.456 0.646 . . . . 0.0 110.811 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.67 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.681 0.753 . . . . 0.0 110.079 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 90' ' ' LYS . . . -143.34 -89.32 0.13 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.754 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.62 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . -119.47 33.42 4.67 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.873 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.7 m -91.37 98.9 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.238 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -94.41 121.21 35.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.276 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -108.7 93.99 4.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.09 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 23.7 tptm -106.96 114.52 28.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.085 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 mt -97.74 110.01 22.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -101.89 112.0 24.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.139 0.495 . . . . 0.0 110.702 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -95.33 103.06 14.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.561 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.16 59.32 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.143 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.3 t70 76.83 -57.6 0.53 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.556 169.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -114.75 -14.52 11.99 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.136 0.493 . . . . 0.0 111.317 -172.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -146.44 152.53 39.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.09 121.8 42.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.544 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.482 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 43.7 tt0 -103.97 123.24 46.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.19 91.34 7.69 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 9.9 m120 -78.82 89.8 4.66 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 35' ' ' SER . 39.4 t -104.54 130.88 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -173.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.3 m -122.04 112.46 18.28 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -107.57 98.08 6.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.683 0.277 . . . . 0.0 111.161 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.62 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.0 m-20 -70.75 111.01 5.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.124 0.488 . . . . 0.0 110.033 172.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.518 ' HE3' ' HB2' ' A' ' 33' ' ' GLN . 52.1 mtt -84.31 11.4 8.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.788 -177.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.38 -13.27 58.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.935 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 38.4 ttmt -155.5 42.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.1 104.31 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.813 176.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -81.29 95.31 6.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 62.8 m-85 -69.36 -0.9 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.56 -176.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HZ1' ' HB3' ' A' ' 94' ' ' LYS . 8.0 mtpm? -87.62 -38.01 16.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.19 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.68 27.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.278 0.561 . . . . 0.0 109.695 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' ' 100' ' ' SER . 7.4 tt -72.27 -7.2 48.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.678 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.89 -24.68 64.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.342 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.16 -1.69 78.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.177 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.454 HG13 ' HG ' ' A' ' 96' ' ' LEU . 10.8 pt -142.47 -155.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 122.784 0.434 . . . . 0.0 109.873 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.546 ' HA ' HD21 ' A' ' 96' ' ' LEU . 11.5 p -176.81 -57.0 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.344 0.592 . . . . 0.0 111.02 175.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.38 -36.67 3.51 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -172.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.409 ' C ' ' H ' ' A' ' 104' ' ' VAL . 8.4 mt -91.43 83.18 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -79.16 29.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.006 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' H ' ' C ' ' A' ' 102' ' ' ILE . 56.2 t -90.36 -54.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.9 m -152.73 114.08 4.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.172 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.83 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.238 0.542 . . . . 0.0 109.603 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -53.72 -50.98 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.443 173.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 111' ' ' LYS . 4.4 t70 -70.42 -26.97 63.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.532 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.57 -53.93 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -74.34 -4.64 37.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.617 0.722 . . . . 0.0 110.443 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 108' ' ' ASP . 59.4 tttt -82.77 -13.65 55.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.188 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.9 102.77 1.83 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.32 117.63 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.731 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 44.4 p -105.77 -178.46 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.988 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -42.92 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.99 69.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.791 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 8.3 mt-30 -65.02 -61.62 2.04 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.889 ' HA ' ' HE3' ' A' ' 118' ' ' MET . 8.4 mmt -42.16 -48.52 4.82 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -57.65 -61.52 2.45 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.56 -24.49 61.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.733 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 5.0 t -80.67 -40.44 19.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.928 -177.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.477 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -66.15 -35.26 79.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.319 0.581 . . . . 0.0 109.773 172.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.39 -31.0 65.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.848 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.23 -17.78 38.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.648 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 78.15 49.66 6.76 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.94 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.477 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 37.8 m-85 -78.75 177.54 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.987 0.423 . . . . 0.0 111.122 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -115.11 123.06 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.8 127.52 33.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.13 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.8 t -88.59 -44.8 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.5 tttp 59.82 102.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.648 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.0 pp -80.95 -2.0 45.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.939 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.56 65.52 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.652 0.739 . . . . 0.0 110.52 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -145.71 12.12 1.29 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -130.95 88.94 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.065 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -60.43 125.13 22.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 111.879 -175.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -64.81 120.75 13.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 59.3 t60 61.77 94.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.961 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.0 t60 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.434 175.772 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 4.5 pt-20 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -104.63 145.23 30.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 -164.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m -96.13 126.25 41.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.522 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 71.7 mmtt -112.92 114.48 26.99 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 131' ' ' LYS . 58.0 tttp -116.6 116.0 26.77 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.481 -171.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.645 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 13.1 p90 -109.54 160.8 15.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' ALA . 31.9 t -145.58 107.75 4.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.22 115.68 30.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.496 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -92.21 97.68 11.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -142.81 146.78 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.459 -174.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 66.93 1.75 2.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.094 0.473 . . . . 0.0 112.025 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 -3.39 57.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.303 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 39' ' ' ILE . 3.6 p -108.07 128.83 55.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.535 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.0 mt-10 -94.38 94.58 8.35 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.56 HG12 HG23 ' A' ' 37' ' ' THR . 61.7 mt -93.9 107.09 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.928 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -118.8 107.02 13.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.168 0.509 . . . . 0.0 109.97 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 63.4 mt -96.73 116.84 39.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.794 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 9' ' ' LYS . 2.1 m -98.9 89.42 4.3 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.477 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.503 ' CE2' ' HG2' ' A' ' 118' ' ' MET . 28.7 p90 -96.61 124.35 40.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.486 0.66 . . . . 0.0 111.009 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 123.23 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.124 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -117.02 150.61 38.33 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.724 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 72.5 tttt -132.29 113.29 13.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.8 -115.96 4.15 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.889 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.15 3.74 13.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.03 0.443 . . . . 0.0 110.332 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.566 ' HD3' HD21 ' A' ' 31' ' ' LEU . 50.3 tttm -111.78 130.03 55.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.67 135.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD21 ' HD3' ' A' ' 29' ' ' LYS . 96.3 mt -120.58 -30.48 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -172.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.37 124.61 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.878 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 50.6 tt0 -108.36 99.83 9.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.607 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 32.3 t -85.51 96.03 9.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG12 ' A' ' 21' ' ' ILE . 19.3 m -97.44 92.91 6.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.376 0.607 . . . . 0.0 109.506 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.7 107.26 19.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.854 -174.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG12 ' A' ' 19' ' ' ILE . 60.3 m -107.2 108.74 20.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.222 -176.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 81.9 tttt -86.32 98.87 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.284 0.564 . . . . 0.0 110.295 177.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.476 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -88.9 134.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.97 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -97.35 148.19 23.41 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.514 ' HA ' HG22 ' A' ' 44' ' ' ILE . 7.3 m-85 -71.71 174.43 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.39 -57.2 0.58 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.591 0.557 . . . . 0.0 110.951 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -62.86 -37.03 85.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 111.046 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 46' ' ' ALA . 6.9 tt -73.23 -17.79 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.282 0.563 . . . . 0.0 110.636 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -1.62 60.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.75 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.754 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -99.63 133.67 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.245 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -101.08 -19.89 15.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.965 0.412 . . . . 0.0 110.521 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.591 HG23 ' H ' ' A' ' 51' ' ' ASP . 8.3 t -133.04 158.17 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.343 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 21.6 pttp -63.48 -29.53 70.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.411 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.94 -52.43 63.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.352 0.596 . . . . 0.0 110.245 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' H ' HG23 ' A' ' 48' ' ' THR . 16.3 t70 -64.19 -32.31 73.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.19 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.887 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -61.99 -39.79 93.41 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.252 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.13 -17.28 57.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.187 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -97.05 -35.15 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -83.8 -44.1 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.585 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 49.3 mt-10 -48.88 -54.55 26.84 Favored Pre-proline 0 N--CA 1.467 0.416 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 86.6 Cg_exo -43.83 -39.55 10.69 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.899 2.4 . . . . 0.0 113.502 175.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.0 -46.95 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.284 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -64.89 -27.79 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.093 0.473 . . . . 0.0 110.677 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.07 -8.48 56.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.998 ' HB3' HD12 ' A' ' 99' ' ' ILE . 79.6 mttt -69.03 -34.31 75.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.548 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.638 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.1 m-85 -66.47 -48.45 69.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 49.05 -93.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.082 0.864 . . . . 0.0 112.659 168.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -147.71 42.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 0.0 110.195 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 99' ' ' ILE . 58.6 mt -57.66 -43.24 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.684 0.754 . . . . 0.0 109.848 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -164.14 -149.59 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.212 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.06 54.1 3.05 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.433 -0.889 . . . . 0.0 110.947 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.2 m -96.07 102.77 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.455 0.645 . . . . 0.0 111.112 -175.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.749 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 36.3 mm-40 -93.68 130.84 39.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.464 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.2 101.9 8.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.191 0.52 . . . . 0.0 111.169 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.749 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.2 mptp? -104.9 97.94 7.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.063 -0.398 . . . . 0.0 110.999 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.37 98.99 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.95 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 72.9 p -101.74 109.16 20.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 13.5 p90 -143.35 131.94 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.351 0.596 . . . . 0.0 111.468 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -101.84 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.713 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -171.47 -33.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.563 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.4 m -87.46 -34.76 18.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 111.459 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -148.2 159.77 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.339 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.06 110.77 13.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.606 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -98.13 107.21 19.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -177.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.68 92.89 9.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 40.6 t-20 -79.76 106.57 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' A' ' 35' ' ' SER . 53.6 t -103.61 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.272 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 34.5 m -135.35 101.78 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.957 0.408 . . . . 0.0 109.997 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 68.2 mt -95.26 114.65 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.326 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.5 t70 -83.74 119.79 25.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.55 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.408 ' HE1' HG13 ' A' ' 113' ' ' ILE . 51.3 mtt -91.9 21.37 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.929 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -109.86 1.95 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.271 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -147.45 15.52 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.252 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -65.13 134.62 29.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.025 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -101.77 108.92 20.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.768 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.539 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 61.3 m-85 -80.79 -8.91 59.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.508 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.03 -57.97 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.64 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 99' ' ' ILE . . . -71.95 -35.49 69.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.038 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.86 -31.3 59.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.774 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 27.2 mm-40 -64.64 -20.68 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.37 5.59 33.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.955 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.998 HD12 ' HB3' ' A' ' 62' ' ' LYS . 32.3 mm . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.085 0.469 . . . . 0.0 110.387 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.556 ' HA ' ' NE2' ' A' ' 117' ' ' GLN . 20.2 t0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.54 71.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -173.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.81 -36.71 17.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -92.12 -10.19 39.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.539 ' HA2' ' CZ ' ' A' ' 93' ' ' PHE . . . 112.02 121.01 3.93 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.501 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.408 HG13 ' HE1' ' A' ' 88' ' ' MET . 16.8 mm -62.54 121.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.158 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -115.81 155.46 27.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.41 -41.93 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 118.07 0.396 . . . . 0.0 111.126 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.9 79.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.235 0.541 . . . . 0.0 110.506 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' A' ' 108' ' ' ASP . 13.2 mt-30 -68.67 -67.25 0.48 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.674 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.503 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -43.18 -44.9 5.36 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.456 . . . . 0.0 112.139 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 2.4 mm-40 -59.15 -65.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.82 -30.21 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.395 0.617 . . . . 0.0 111.404 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 t -79.29 -38.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.449 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 18.2 mmt -74.63 -29.74 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.633 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.1 mptt -69.21 -36.18 76.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 172.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.66 -29.9 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.656 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.32 -13.32 61.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.155 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.4 27.22 64.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.58 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -92.76 153.33 18.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.647 0.26 . . . . 0.0 110.337 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -103.34 122.13 44.18 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 110.478 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 6.8 pt-20 -82.15 137.52 34.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.1 0.85 10.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.492 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 49.4 mttp . . . . . 0 C--O 1.222 -0.384 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.627 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.85 151.32 37.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.2 p -137.27 135.89 37.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 0.0 111.165 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.917 ' HE2' ' HG2' ' A' ' 129' ' ' GLU . 14.2 tttt -134.14 98.06 4.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.068 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.1 ttmm -89.17 118.01 28.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.771 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.5 p90 -105.12 144.95 31.21 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.62 ' OG ' HG21 ' A' ' 130' ' ' VAL . 22.5 p -135.48 116.77 14.56 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.907 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.64 128.19 32.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 111.703 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 18.7 t-20 -88.11 99.81 12.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 84.85 4.65 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.297 177.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 74.56 -56.47 0.64 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.241 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.6 -34.65 0.12 Allowed Glycine 0 C--N 1.312 -0.799 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.768 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 123.69 39.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.633 0.254 . . . . 0.0 111.129 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 1.9 mt-10 -97.24 96.51 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.471 HG12 HG23 ' A' ' 37' ' ' THR . 57.9 mt -93.07 121.33 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.197 0.523 . . . . 0.0 110.891 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -116.55 103.63 10.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.262 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -101.17 124.41 54.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.155 0.502 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.2 m -108.56 105.85 15.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.963 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 7' ' ' SER . 50.3 m-85 -83.29 105.79 14.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.618 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -92.1 98.4 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.67 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 28.4 p90 -125.69 162.4 25.11 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.029 -172.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -141.31 116.91 10.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.8 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.3 -116.06 4.15 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -171.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -115.21 -12.24 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.761 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -93.99 123.06 37.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.048 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.67 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 19.2 t -74.44 124.23 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 169.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.7 -36.18 9.21 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.319 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -134.91 116.94 15.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 0.0 109.848 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -110.63 111.2 22.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.809 -176.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 34.7 t -92.06 94.32 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 9.2 m -97.35 101.86 13.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 22.8 mt-10 -108.1 107.54 18.24 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.386 -171.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 11.0 m -87.18 107.94 18.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.142 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HG2' ' NE2' ' A' ' 40' ' ' GLN . 51.6 tttm -82.73 93.83 7.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.604 0.716 . . . . 0.0 109.83 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.6 mt -90.17 119.37 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.341 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.568 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 20.7 mm-40 -88.5 154.6 20.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -61.43 -31.31 71.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.632 0.253 . . . . 0.0 111.543 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.01 -18.67 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.874 0.369 . . . . 0.0 110.984 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -83.16 -37.51 23.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.986 0.422 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 tt -87.25 -32.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.151 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.32 33.8 8.48 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.723 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -104.09 144.95 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.188 . . . . 0.0 110.626 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.35 -50.27 7.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.343 0.592 . . . . 0.0 110.391 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.2 p -127.89 176.0 7.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.01 -20.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.95 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.46 -51.42 63.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 9.1 m-20 -59.93 -41.25 91.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.333 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.93 51.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.324 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.474 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.4 -44.54 96.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.16 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -61.64 -17.3 54.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 m -95.73 -36.76 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.249 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.01 -36.38 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 33.1 mt-10 -51.84 -45.71 92.25 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 80.4 Cg_exo -41.38 -40.82 4.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.22 2.613 . . . . 0.0 114.08 172.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.33 -41.26 73.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.628 0.251 . . . . 0.0 111.24 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -60.99 -20.59 62.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 111.603 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.36 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.776 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.8 -34.45 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.938 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 95.0 m-85 -75.83 -20.74 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.492 -170.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 71.4 mmtt -78.63 22.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.082 0.468 . . . . 0.0 111.757 -175.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -135.19 5.99 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.437 0.637 . . . . 0.0 109.308 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 ' CB ' ' A' ' 92' ' ' ASP . 73.3 mt -126.02 93.56 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.177 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HD3' ' A' ' 90' ' ' LYS . . . 47.9 -146.06 0.28 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.672 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.89 29.5 7.94 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 t -85.44 111.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.95 143.33 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.066 0.46 . . . . 0.0 111.406 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 84' ' ' VAL . 40.9 tt0 -107.43 107.21 17.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.272 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -100.15 107.6 19.52 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.639 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 85.6 mt -84.44 124.75 31.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.1 p -119.53 121.04 38.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.447 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 44.3 m-85 -114.06 128.85 56.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 -175.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 m -108.59 -79.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.63 -67.7 0.25 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -100.56 0.55 39.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.572 . . . . 0.0 110.998 -174.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -149.96 157.14 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.64 130.87 38.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.603 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 23.3 mt-30 -99.33 119.3 37.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.367 0.603 . . . . 0.0 110.94 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 25.0 tt0 -85.8 88.33 7.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.264 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 5.2 t30 -84.13 95.63 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.258 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.519 HG22 ' HG3' ' A' ' 71' ' ' GLU . 48.9 t -96.57 101.56 12.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.142 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.0 m -91.17 106.07 18.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.573 ' HA ' HG13 ' A' ' 69' ' ' VAL . 43.8 mt -99.39 124.2 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 -178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 11.3 t70 -91.37 113.99 26.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.538 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.8 mmt -90.2 6.41 42.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.498 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 25.5 mm-40 -84.29 -2.41 56.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.254 0.55 . . . . 0.0 109.715 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HD3' ' HB2' ' A' ' 67' ' ' ALA . 56.9 tttt -150.58 -62.05 0.19 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.271 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER 51.77 -167.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.319 -166.219 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 91' ' ' VAL . 14.6 t70 -144.47 95.16 2.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 159.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -69.78 -10.21 57.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.217 -170.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -86.24 -51.61 6.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.84 -10.97 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 110.454 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 18.4 tp -61.42 -17.56 54.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.676 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -62.66 -23.23 66.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.27 55.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.144 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.2 pt . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.958 0.409 . . . . 0.0 111.363 -178.074 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.68 0.752 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.5 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.511 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -96.59 -33.91 11.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.338 0.589 . . . . 0.0 110.47 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.2 -30.75 34.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.747 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 142.08 108.01 0.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.152 -1.023 . . . . 0.0 112.732 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 109' ' ' ALA . 46.0 mm -76.0 112.77 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.001 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.3 p -127.94 179.05 5.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.4 tpt -71.69 -39.37 70.27 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.664 -0.415 . . . . 0.0 109.976 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.12 73.91 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.027 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -66.51 0.5 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.479 174.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.466 ' O ' ' HB2' ' A' ' 122' ' ' MET . 23.1 mmt -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.36 -66.38 0.47 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.648 0.261 . . . . 0.0 111.352 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.14 -35.37 80.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.263 0.554 . . . . 0.0 111.215 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.5 t -70.7 -44.32 76.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.514 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.668 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -76.08 -30.48 58.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.686 0.279 . . . . 0.0 111.276 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.89 -19.55 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.64 47.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.203 0.525 . . . . 0.0 110.082 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.51 -17.95 57.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.55 38.83 6.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.414 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.668 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.9 m-85 -101.69 159.23 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -125.28 136.79 53.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.917 ' HG2' ' HE2' ' A' ' 8' ' ' LYS . 2.8 mp0 -69.66 139.22 53.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.578 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.62 HG21 ' OG ' ' A' ' 11' ' ' SER . 45.3 t -118.26 -23.79 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.407 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 51.5 mmtt . . . . . 0 N--CA 1.468 0.432 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.325 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 35.0 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -146.02 141.29 27.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.2 m -116.42 129.8 56.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.373 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 11.1 mmtp -113.19 95.14 5.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.432 175.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.6 tttt -90.4 124.17 34.72 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.0 p90 -121.69 157.38 31.02 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB2' HG21 ' A' ' 130' ' ' VAL . 6.8 m -147.66 115.07 6.29 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.538 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 124.81 35.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.99 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 43.0 t-20 -92.65 108.38 19.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.12 43.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 110.787 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 77.13 -56.42 0.53 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.018 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.8 -37.28 9.52 Favored Glycine 0 C--N 1.313 -0.708 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.826 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 HG12 ' A' ' 39' ' ' ILE . 6.5 p -136.57 139.56 42.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.776 0.322 . . . . 0.0 111.278 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 2.8 mt-10 -102.47 97.37 7.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 37' ' ' THR . 54.0 mt -95.63 115.26 34.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.012 0.434 . . . . 0.0 111.128 -172.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.11 111.56 18.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.86 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 35' ' ' SER . 57.9 mt -113.36 128.78 70.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.029 -175.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.471 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 26.1 m -99.67 103.47 15.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 174.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB2' ' HB2' ' A' ' 8' ' ' LYS . 84.8 m-85 -82.82 102.34 11.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.645 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.41 98.57 8.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB3' HG22 ' A' ' 30' ' ' VAL . 45.9 p90 -109.55 144.14 38.24 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.482 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' HB2' ' A' ' 5' ' ' GLU . 32.1 ttmt -143.36 116.45 8.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.388 -173.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.23 4.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.058 -1.067 . . . . 0.0 110.537 -168.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -108.61 -30.61 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 110.684 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HD2' HD23 ' A' ' 31' ' ' LEU . 25.8 ttmt -90.07 145.96 24.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.268 -172.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 25' ' ' TYR . 39.3 t -80.12 94.28 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 167.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HD2' ' A' ' 29' ' ' LYS . 67.6 mt -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -168.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -135.94 118.31 15.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.319 0.581 . . . . 0.0 110.618 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.41 103.87 13.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 26.1 m -87.72 90.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.045 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.561 ' HA ' HG12 ' A' ' 21' ' ' ILE . 5.8 m -97.6 97.51 9.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.264 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.06 109.27 21.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.128 0.489 . . . . 0.0 110.244 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 19' ' ' ILE . 85.8 m -95.51 110.44 22.51 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.446 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 28.4 tttm -82.4 104.05 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 109.752 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 17' ' ' THR . 56.2 mt -99.53 127.56 52.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.391 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -85.49 149.73 25.19 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.6 m-30 -64.92 -15.1 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.44 60.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.682 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -94.05 -30.79 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.548 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.1 tt -79.93 -30.48 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.53 36.7 13.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.981 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.01 146.77 33.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.49 -44.98 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.353 . . . . 0.0 111.525 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -128.41 175.56 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.216 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.68 -20.73 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.047 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.07 -48.52 73.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.48 -42.37 87.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.018 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.52 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.162 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.999 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -66.3 -13.01 59.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.4 m -99.39 -48.11 4.91 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 98.8 mt -93.38 -36.31 12.57 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -166.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 31.5 mt-10 -47.37 -50.14 50.23 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 14.9 Cg_endo -60.58 -12.78 22.47 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.228 1.952 . . . . 0.0 113.627 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.19 -42.39 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.755 0.312 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 m -61.31 -22.18 64.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.852 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -24.73 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.544 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -64.96 -27.42 68.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 111.009 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.623 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 58.1 m-85 -69.85 -33.93 72.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.248 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -77.58 12.66 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.072 0.463 . . . . 0.0 111.399 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -108.04 -8.75 15.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.445 0.64 . . . . 0.0 109.458 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -98.19 -71.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.576 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -169.25 -146.12 0.06 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.906 -174.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.18 13.53 3.43 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' TYR . 2.8 t -82.04 104.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -132.32 158.22 42.45 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.254 0.55 . . . . 0.0 111.474 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HG3' HG22 ' A' ' 84' ' ' VAL . 39.4 tt0 -125.67 130.93 52.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.054 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -120.58 112.62 19.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.152 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.66 102.27 14.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.929 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 25.6 p -101.73 121.14 41.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.213 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -106.73 137.5 44.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.663 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -104.47 -83.8 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.0 -59.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -92.0 -17.56 24.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.659 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -145.53 164.11 32.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.051 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.31 48.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 72.9 mt-30 -99.57 113.62 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.39 85.58 6.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.92 102.95 8.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.083 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG22 ' HG3' ' A' ' 71' ' ' GLU . 50.4 t -106.99 106.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.235 -176.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.7 m -97.83 104.58 16.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.274 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' HG13 ' A' ' 69' ' ' VAL . 46.9 mt -97.79 122.83 49.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.74 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' ' 91' ' ' VAL . 23.3 t70 -98.31 115.39 28.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.4 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.3 mmt -93.83 13.13 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.292 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 5.3 mm-40 -89.68 -3.75 58.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.5 0.667 . . . . 0.0 109.505 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 84.9 tttt -143.3 -66.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.619 175.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 39.38 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.249 1.02 . . . . 0.0 113.524 -174.296 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 21.0 t70 -159.95 101.17 1.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.623 167.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -71.83 -3.64 23.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.83 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -85.73 -58.78 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.62 62.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.591 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 8.5 tp -55.8 -33.23 64.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.215 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.78 -36.3 47.05 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.769 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.14 86.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.542 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 96' ' ' LEU . 2.4 pp . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 117.165 0.482 . . . . 0.0 112.248 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.586 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 9.2 t70 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.126 0.489 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -66.73 -15.53 63.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.099 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -87.63 -16.04 35.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.376 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' A' ' 108' ' ' ASP . 80.8 mttt -78.04 -39.83 40.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.365 0.602 . . . . 0.0 110.314 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 104.52 1.55 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 109' ' ' ALA . 45.1 mm -75.08 105.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.548 0.69 . . . . 0.0 111.846 -172.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 43.1 p -117.38 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.834 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.29 -35.22 61.33 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.32 -44.95 72.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.302 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.6 mp0 -58.95 -66.19 0.54 Allowed 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 176.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 122' ' ' MET . 25.9 mmt -50.27 -43.35 53.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.52 -60.42 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 111.452 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.56 -35.74 77.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.219 0.533 . . . . 0.0 111.201 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.7 t -73.17 -43.46 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.933 -174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.71 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -72.3 -31.64 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.743 0.306 . . . . 0.0 111.082 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.52 -16.12 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.85 48.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.116 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.58 -19.79 30.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.6 28.05 9.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.645 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.71 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 22.6 m-85 -86.38 148.71 25.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -120.43 142.59 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -61.76 159.13 14.2 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.855 0.836 . . . . 0.0 112.209 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 11' ' ' SER . 41.7 t -139.84 -44.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.402 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' CA ' ' HB3' ' A' ' 9' ' ' LYS . 52.1 mttt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.77 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -98.32 125.16 43.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.503 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 p -101.17 139.01 37.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.11 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' THR . 16.4 mmtp -136.06 111.23 8.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 172.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.13 115.72 30.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.248 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.0 p90 -116.04 165.05 13.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 32.2 t -156.4 119.27 4.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.143 0.497 . . . . 0.0 110.57 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.31 110.33 21.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.026 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.28 89.03 7.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.508 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.2 pp -134.32 147.27 50.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.041 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t30 71.35 -14.2 0.49 Allowed 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.533 0.521 . . . . 0.0 112.234 173.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 110.06 6.34 28.05 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -172.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 HG13 ' A' ' 39' ' ' ILE . 5.3 p -115.95 121.37 42.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.553 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.6 mt-10 -88.34 98.55 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 11' ' ' SER . 57.0 mt -92.41 92.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.04 0.447 . . . . 0.0 110.21 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.57 115.73 31.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.518 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.684 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.3 mt -118.3 126.41 75.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.25 -176.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 6.3 m -115.66 96.59 5.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.697 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.802 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 14.5 p90 -92.41 130.36 38.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.266 0.555 . . . . 0.0 110.637 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.95 126.72 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.766 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.8 p90 -132.97 156.22 47.7 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.773 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -118.03 99.05 6.65 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 171.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.45 -116.13 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.446 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.703 ' HA ' ' HB2' ' A' ' 115' ' ' MET . 32.4 t70 -99.55 -2.09 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -98.33 101.97 13.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.692 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 14.5 t -78.34 115.95 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.55 -31.77 13.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 13.7 ptpt -160.58 164.13 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.802 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 25.7 tt0 -144.34 112.14 6.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.222 -171.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -85.69 100.42 11.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 m -110.55 104.45 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -110.17 108.12 18.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.936 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 19' ' ' ILE . 65.4 m -92.75 115.4 28.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.1 ttmt -96.92 110.06 22.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 17' ' ' THR . 4.6 mp -95.52 120.38 44.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.343 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 29.8 mm-40 -73.16 147.65 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -62.46 -29.64 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.956 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.27 -13.29 59.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.405 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -85.94 -37.12 19.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.219 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 tt -90.86 -29.31 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.802 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.85 34.26 11.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.688 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.56 172.01 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.359 . . . . 0.0 110.602 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -119.14 -53.31 2.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -118.03 176.29 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.269 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -67.79 -23.45 65.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.913 0.387 . . . . 0.0 110.008 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.2 mm-40 -67.84 -59.25 3.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.801 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.51 -16.0 61.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.07 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.216 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.15 86.52 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.619 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 64.0 mttm -66.36 -8.27 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.729 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -98.18 -34.36 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.654 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.58 -25.48 24.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.019 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 23.5 mm-40 -48.28 -54.39 25.89 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.473 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.0 Cg_endo -67.08 -19.03 51.77 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.017 1.811 . . . . 0.0 112.861 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.32 -48.78 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 m -64.09 -29.36 70.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.361 0.6 . . . . 0.0 110.242 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -69.21 2.24 3.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.159 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 99' ' ' ILE . 67.5 mttm -75.55 -31.0 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.044 -0.41 . . . . 0.0 110.631 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.644 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.7 m-85 -75.32 -56.74 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 31.6 mtmt 65.16 -93.07 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.742 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -149.38 40.14 0.84 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.276 0.56 . . . . 0.0 109.835 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 63' ' ' TYR . 68.0 mt -53.49 -42.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.629 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -168.8 -145.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.055 -174.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.48 45.36 2.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.874 171.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.1 m -93.91 111.37 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.316 0.579 . . . . 0.0 110.327 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.01 109.53 21.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.911 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.04 97.82 10.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.072 0.939 . . . . 0.0 109.621 175.473 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 66.3 mttm -101.8 104.85 15.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.861 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.95 106.19 16.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.493 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 2.5 p -106.69 125.97 51.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -112.54 117.06 31.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.012 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -85.82 -65.92 0.96 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.437 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 t70 178.09 -53.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.43 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.3 m -93.01 -11.84 32.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.381 0.61 . . . . 0.0 111.259 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -152.6 161.79 42.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 111.343 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.42 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.053 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 41.7 mt-30 -104.6 111.67 24.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.77 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.22 90.36 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 49.5 t-20 -82.88 101.02 10.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.77 105.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.413 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.6 m -93.61 103.31 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.06 141.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -175.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.642 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 13.7 t70 -110.97 127.54 55.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.74 -3.03 59.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.501 -171.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.59 -45.9 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.98 0.419 . . . . 0.0 111.008 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -102.27 1.32 35.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 5.8 p -71.88 156.86 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.132 0.491 . . . . 0.0 111.041 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 24.9 t70 -123.24 117.86 26.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.39 -19.53 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.933 0.396 . . . . 0.0 111.055 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 6.1 ttpm? -65.02 -36.28 83.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.779 173.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.37 -24.32 59.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.674 HD23 HD12 ' A' ' 99' ' ' ILE . 71.6 mt -83.58 0.53 46.29 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.415 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -52.66 -51.92 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.023 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.11 17.68 58.84 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.749 HG12 ' HB3' ' A' ' 62' ' ' LYS . 54.9 mt . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.493 . . . . 0.0 110.903 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.641 ' OD2' ' HB3' ' A' ' 117' ' ' GLN . 11.0 t70 . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.11 -33.34 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.877 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.69 -33.98 71.49 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -99.19 -22.79 15.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 133.44 132.53 3.27 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.293 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.54 109.76 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.9 p -114.3 -179.47 3.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.812 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.703 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -66.61 -41.64 88.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.104 -177.361 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.87 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.452 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.641 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 0.7 OUTLIER -57.35 -63.59 1.17 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.381 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 122' ' ' MET . 29.8 tpp -47.06 -45.99 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.623 0.577 . . . . 0.0 112.368 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 20.3 mm-40 -62.36 -62.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.33 . . . . 0.0 111.768 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.38 -34.31 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.185 0.517 . . . . 0.0 111.231 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.1 t -76.59 -41.53 34.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.162 -175.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.529 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.76 -33.64 71.0 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.988 -0.445 . . . . 0.0 111.212 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 13.5 mptt -73.51 -25.06 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.103 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.03 67.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.377 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.85 76.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.152 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 106.33 33.41 3.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.835 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.529 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 25.4 m-85 -92.03 128.01 37.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -102.31 139.24 38.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.353 . . . . 0.0 110.25 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 51.3 mt-10 -82.23 148.69 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.381 0.61 . . . . 0.0 112.027 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.5 t -93.99 -24.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.463 0.221 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.349 176.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 mp0 -102.92 130.79 50.1 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.325 -171.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -121.46 116.92 25.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.009 0.433 . . . . 0.0 111.011 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HG2' ' HE1' ' A' ' 25' ' ' TYR . 19.7 mmtp -114.45 101.51 9.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.051 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -99.31 113.12 25.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.601 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 5.2 p90 -112.84 161.22 17.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -155.65 124.81 6.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.046 0.45 . . . . 0.0 110.39 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.79 141.83 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.908 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -98.7 98.29 9.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 pp -133.75 142.5 47.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.523 -176.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 t30 63.76 16.97 10.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.578 0.704 . . . . 0.0 110.074 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.22 5.04 89.34 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.271 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.7 p -114.06 138.31 50.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.747 0.308 . . . . 0.0 111.296 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' OE2' ' HD2' ' A' ' 38' ' ' LYS . 4.8 mt-10 -93.44 97.59 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.534 HG12 HG23 ' A' ' 37' ' ' THR . 23.1 mt -93.32 106.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 121.144 0.497 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -114.63 110.77 20.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.003 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 65.0 mt -108.55 124.96 65.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.153 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -101.19 101.72 12.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.861 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -82.07 109.64 16.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 50.8 t -93.71 104.49 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 38.3 p90 -124.34 164.22 20.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.5 115.71 12.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.759 175.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.53 -115.91 5.23 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 110.622 -172.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -113.67 7.55 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.527 0.679 . . . . 0.0 109.363 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -98.29 107.94 20.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.312 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 20.1 t -76.9 113.61 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.0 -39.33 11.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.328 -172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 67.4 mttm -132.18 122.97 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.029 0.443 . . . . 0.0 110.799 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -107.55 96.05 6.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.473 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 50.9 m -85.52 97.76 10.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 109.874 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 16.6 m -97.38 100.32 11.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.048 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.9 mt-10 -98.74 108.67 21.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.198 0.523 . . . . 0.0 110.323 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 19' ' ' ILE . 24.2 m -99.38 104.72 16.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.618 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HD2' ' OE2' ' A' ' 18' ' ' GLU . 33.4 ttmt -87.29 106.02 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -104.55 110.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.001 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.16 151.92 46.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.966 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -66.42 -29.84 70.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -20.03 61.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -88.79 -33.97 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 tt -84.66 -31.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.9 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.54 37.77 7.94 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.2 160.79 14.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.752 0.31 . . . . 0.0 111.212 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 m -97.2 -67.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -121.63 -178.36 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.128 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -69.55 -32.08 70.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.185 -175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.2 mp0 -67.97 -44.03 77.63 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.96 -41.65 87.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.66 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.23 87.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.281 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.66 -45.53 93.62 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.85 -12.33 24.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.458 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.7 m -99.03 -45.71 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.343 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 86.5 mt -86.13 -21.49 27.56 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.59 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 36.0 mt-10 -60.6 -52.72 70.69 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.332 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 50.0 Cg_exo -51.18 -33.53 44.64 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.598 2.199 . . . . 0.0 112.612 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 37.6 tp -65.12 -61.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.099 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m -64.06 -20.93 66.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.932 0.396 . . . . 0.0 111.172 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -1.86 7.17 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.115 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -59.12 -44.04 92.0 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.645 0.259 . . . . 0.0 110.785 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.2 m-85 -64.19 -51.71 62.45 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.257 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttp 70.57 -80.43 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.601 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -157.23 44.04 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.9 mt -56.2 -42.37 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.436 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 90' ' ' LYS . . . -167.36 -147.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.828 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.9 53.42 2.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 86' ' ' ILE . 22.5 m -98.4 122.55 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.133 0.492 . . . . 0.0 109.92 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HG2' ' HB ' ' A' ' 85' ' ' THR . 14.6 pt-20 -116.84 116.19 26.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.563 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.84 99.18 9.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.987 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -101.58 106.99 18.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.498 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 86.9 mt -87.07 114.42 23.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.97 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 46.6 p -101.27 118.77 37.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 97.7 m-85 -110.94 102.06 10.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 m -77.19 -66.75 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 177.06 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 p -90.14 -15.23 31.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.088 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -150.61 158.1 43.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.207 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.14 127.9 45.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.563 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 8.5 tt0 -113.32 124.33 52.23 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.329 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.635 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 32.3 mt-10 -84.04 92.66 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.3 t-20 -80.37 89.99 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' GLU . 36.9 t -102.89 140.14 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.218 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 64.7 m -130.28 105.45 7.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.931 0.396 . . . . 0.0 110.054 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.732 ' HA ' HG12 ' A' ' 69' ' ' VAL . 55.9 mt -95.25 111.66 26.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.251 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.54 ' OD2' ' HG3' ' A' ' 90' ' ' LYS . 20.4 t70 -82.35 117.73 22.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 91' ' ' VAL . 24.6 mmt -87.35 -2.91 58.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.729 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.22 -19.16 36.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.184 0.516 . . . . 0.0 109.785 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 14.7 mtpp -127.64 -1.44 6.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.253 -175.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 9.5 p -72.08 134.41 29.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.729 0.776 . . . . 0.0 111.414 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 13.6 t70 -91.28 118.89 30.87 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.295 176.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 95.3 m-85 -82.0 -6.48 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.841 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 61.5 tttp -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.78 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.095 172.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 52.7 mt -73.24 1.0 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.244 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.788 ' HA ' ' HE3' ' A' ' 110' ' ' LYS . 62.0 tt0 -66.96 -27.51 67.52 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 171.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -115.67 -8.8 13.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.617 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.693 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.901 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.924 0.392 . . . . 0.0 110.567 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.42 -4.31 59.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.229 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.788 ' HE3' ' HA ' ' A' ' 97' ' ' GLN . 47.1 mmtm -93.05 -41.75 9.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.446 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.901 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 60.1 pttt -71.04 -33.91 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.894 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.73 141.14 4.22 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.456 HG23 ' SD ' ' A' ' 118' ' ' MET . 31.1 mm -103.99 120.21 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.499 . . . . 0.0 111.518 -176.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -128.22 -177.52 4.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.4 tpt -77.51 -22.23 51.51 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.151 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.19 60.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.21 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.94 -66.33 0.44 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.746 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.603 ' O ' ' HG2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -44.54 -51.59 8.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -176.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.87 -54.92 40.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.555 0.616 . . . . 0.0 111.766 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' LEU . 2.7 tm? -69.16 -33.33 73.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.45 0.643 . . . . 0.0 110.46 -175.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -76.98 -38.48 28.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.679 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.603 ' HG2' ' O ' ' A' ' 118' ' ' MET . 33.0 mmt -63.29 -42.07 99.05 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.72 -43.7 98.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.748 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.35 85.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.393 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.06 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.384 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.6 31.42 7.47 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.172 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.405 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 23.4 m-85 -83.18 139.81 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' A' ' 128' ' ' LYS . 16.0 ptpt -102.02 133.82 46.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -85.16 135.58 33.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.262 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.38 -41.76 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.762 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.234 0.284 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.966 -175.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.475 ' HG3' ' HD2' ' A' ' 26' ' ' LYS . 6.7 mp0 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -97.8 162.59 13.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.324 -171.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 t -129.88 126.5 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.23 0.538 . . . . 0.0 111.359 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 5.4 mmmm -113.17 131.89 55.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.142 172.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -126.3 122.66 36.09 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.148 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.714 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 2.7 p90 -126.01 162.07 26.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 9.9 t -152.88 116.02 4.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.172 0.511 . . . . 0.0 109.827 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.02 109.46 20.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.809 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -89.63 87.82 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.564 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 pp -114.36 132.33 56.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.67 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 73.65 -32.0 0.23 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.716 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 147.75 -11.88 1.29 Allowed Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.412 ' CG2' HG12 ' A' ' 39' ' ' ILE . 86.1 m -97.67 133.91 41.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.599 0.237 . . . . 0.0 110.732 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 29.5 mt-10 -88.57 109.6 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' SER . 47.7 mt -90.93 96.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.5 102.18 11.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.728 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.714 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 51.9 mt -101.51 101.62 12.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.294 0.569 . . . . 0.0 109.992 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -94.67 94.28 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.973 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 19.5 p90 -100.78 131.7 46.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.607 0.718 . . . . 0.0 111.583 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.4 123.32 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.903 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE1' ' HG2' ' A' ' 8' ' ' LYS . 27.5 p90 -126.12 158.9 34.31 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.069 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 70.6 tttt -141.79 115.23 8.95 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.18 -134.52 29.19 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -169.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -103.8 68.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.546 0.673 . . . . 0.0 109.462 173.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -167.17 122.73 1.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.098 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 15.4 t -89.99 120.53 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -102.25 -21.98 14.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.626 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -140.66 120.1 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.746 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 51.9 tt0 -107.65 100.02 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.419 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 8.5 m -88.88 96.3 10.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.897 0.38 . . . . 0.0 110.419 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HG12 ' A' ' 21' ' ' ILE . 14.3 m -97.14 101.75 13.38 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 2.7 mt-10 -110.98 112.04 23.58 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.626 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 20.5 p -95.47 106.05 18.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.219 0.533 . . . . 0.0 111.135 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 29.4 ttmt -87.48 93.0 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.915 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.568 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 31.6 mt -91.75 127.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 42' ' ' ALA . 30.9 mm-40 -80.4 150.98 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.26 25.3 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.745 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 40' ' ' GLN . . . -126.54 -4.86 6.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.125 0.488 . . . . 0.0 110.097 174.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -118.54 -18.46 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 8.1 tt -87.61 -38.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.076 -174.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.8 35.36 5.4 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -172.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.38 126.61 50.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.612 -0.294 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 48' ' ' THR . 12.3 t -100.81 -15.06 17.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.203 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 47' ' ' THR . 61.5 p -138.6 172.27 13.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -39.74 89.11 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.534 0.683 . . . . 0.0 109.487 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.9 -35.92 64.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.036 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' HB2' ' H ' ' A' ' 48' ' ' THR . 4.9 m-20 -62.41 -40.58 96.98 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.176 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.84 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -64.71 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.897 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 51' ' ' ASP . 7.7 ttpm? -57.48 -24.05 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.995 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 61.4 m -93.12 -45.99 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.546 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 59' ' ' LEU . 69.7 mt -81.97 -30.5 31.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 56.0 mt-10 -57.15 -53.72 62.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.396 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 30.2 Cg_endo -64.83 -22.55 63.37 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.863 1.709 . . . . 0.0 112.669 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 56' ' ' LEU . 68.9 mt -74.65 -53.77 8.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.728 0.299 . . . . 0.0 110.497 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -64.64 -31.16 72.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.476 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -7.74 34.36 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.09 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' HD23 ' A' ' 59' ' ' LEU . 68.9 mttm -69.84 -26.15 64.09 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.407 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.8 m-85 -71.43 -55.14 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm 66.47 39.78 3.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.26 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 57.72 57.98 3.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.746 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ASP . 67.8 mt -53.26 -72.63 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.547 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -156.42 102.69 2.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.1 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.73 53.9 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.443 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 86' ' ' ILE . 16.4 m -85.39 118.97 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.763 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 42.5 mt-10 -93.54 92.7 7.7 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.774 175.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.64 94.03 9.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.87 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 65.6 mttm -115.08 123.6 49.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.831 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.93 111.77 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 42.5 p -101.77 113.67 27.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 0.0 110.447 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.499 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 94.6 m-85 -108.64 103.51 12.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 5.1 m -79.43 -72.52 0.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 76' ' ' THR . 23.0 t70 174.0 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.595 175.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m -90.1 -13.24 36.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -154.1 153.8 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.45 126.15 38.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.318 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.536 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 42.6 tt0 -110.9 115.2 29.1 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.018 0.437 . . . . 0.0 110.632 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 44.4 tt0 -85.24 93.58 8.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -86.61 101.83 13.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.63 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 82' ' ' GLU . 28.7 t -113.64 104.6 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.106 0.479 . . . . 0.0 111.213 -176.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.9 m -98.26 105.44 17.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.634 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.735 ' HA ' HG12 ' A' ' 69' ' ' VAL . 5.2 mp -92.75 125.64 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.646 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 91' ' ' VAL . 18.2 t70 -84.94 115.9 23.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.539 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 33.0 mtp -94.04 14.86 18.51 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.87 -169.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -102.17 -5.1 24.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.968 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.8 ttmm -139.28 2.01 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.507 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -47.8 129.44 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.604 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HB3' HG23 ' A' ' 66' ' ' ILE . 24.6 t70 -98.32 98.12 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.92 170.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -71.45 -12.42 61.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.916 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.62 -47.19 86.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.328 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.78 -46.25 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.744 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.55 -23.98 65.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.854 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.09 -27.22 31.7 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.104 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 117.09 0.445 . . . . 0.0 111.37 -173.348 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.937 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 5.5 t70 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 121.009 0.433 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -57.16 -39.91 76.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -82.94 4.08 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.937 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 61.1 mttm -78.01 -34.39 50.75 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.588 0.709 . . . . 0.0 109.323 171.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.61 94.99 2.38 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -166.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 109' ' ' ALA . 43.5 mm -63.07 127.1 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.688 0.756 . . . . 0.0 112.073 -168.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.8 p -107.28 -173.64 2.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.684 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -74.32 -43.83 55.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.51 -45.07 85.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.469 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.587 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 36.1 mt-30 -59.47 -59.12 5.95 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.507 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -46.99 -50.21 19.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.441 0.463 . . . . 0.0 112.173 -178.747 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.52 -57.99 10.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 111.69 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.07 -36.99 80.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 111.422 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -75.4 -39.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.97 -174.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.6 -38.11 73.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.854 0.359 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.6 -12.32 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.936 0.398 . . . . 0.0 110.236 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.8 -27.99 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.957 171.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.15 59.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.928 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.3 16.59 60.36 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.968 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -90.99 154.7 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 13.3 ptmm? -118.24 143.28 46.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.781 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 23.5 mt-10 -73.81 147.61 43.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.681 177.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.18 -17.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp . . . . . 0 C--O 1.234 0.24 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.151 -179.212 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 39.0 mt-10 -99.39 140.77 33.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.299 -164.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 36.5 m -102.74 142.3 34.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.287 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' THR . 84.5 tttt -144.43 132.56 21.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.843 177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 9.3 tppt? -108.61 128.84 55.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.467 . . . . 0.0 111.274 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 1.5 p90 -127.34 147.35 50.25 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 165.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.622 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 23.2 t -142.86 106.39 4.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.764 0.316 . . . . 0.0 110.223 -174.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.02 46.66 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -93.21 96.02 9.74 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.14 96.21 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.278 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 70.96 -54.28 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.952 0.901 . . . . 0.0 111.544 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.524 ' HA3' ' OG ' ' A' ' 43' ' ' SER . . . -169.43 26.62 0.12 Allowed Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 39' ' ' ILE . 3.6 m -122.86 99.5 6.42 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 3.5 mt-10 -83.04 92.98 7.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.0 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -91.38 108.66 20.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.749 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 106.27 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.494 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.658 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -110.58 128.62 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.157 0.503 . . . . 0.0 111.034 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 4.1 m -112.12 116.98 31.37 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.834 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' A' ' 7' ' ' SER . 18.3 m-85 -81.29 147.05 30.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 49.6 t -119.88 95.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 163.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.538 ' HB3' HG22 ' A' ' 30' ' ' VAL . 51.2 p90 -109.68 138.68 45.69 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.966 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -113.6 99.22 7.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.369 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.35 -116.05 4.82 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -172.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -111.61 30.68 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.593 0.711 . . . . 0.0 109.697 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -127.0 110.33 12.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.238 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 25' ' ' TYR . 15.3 t -80.16 95.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 89.7 mt -91.24 -9.08 46.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.548 -170.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 38.8 mttp -151.87 136.39 16.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.68 0.276 . . . . 0.0 110.433 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.693 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 8.7 tt0 -125.83 119.7 28.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -102.33 99.04 9.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.037 0.446 . . . . 0.0 110.242 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -103.47 117.14 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.702 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 41.9 mt-10 -115.27 107.02 14.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.188 0.518 . . . . 0.0 110.181 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.576 HG23 HG12 ' A' ' 19' ' ' ILE . 30.9 m -90.19 112.41 23.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.983 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 39.2 tttm -99.9 97.76 8.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.215 0.531 . . . . 0.0 110.281 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.445 HG13 HG23 ' A' ' 17' ' ' THR . 4.0 mp -93.34 128.24 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.502 -176.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.88 133.34 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 49' ' ' LYS . 10.5 m-30 -61.57 -33.36 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -174.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.39 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.524 ' OG ' ' HA3' ' A' ' 16' ' ' GLY . 11.4 m -91.3 -43.5 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 41' ' ' PHE . 9.7 tt -70.88 -26.37 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.23 24.25 17.22 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.939 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -102.56 129.79 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.866 0.365 . . . . 0.0 110.532 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.9 m -82.76 -47.26 12.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.203 0.525 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' GLU . 26.9 m -107.19 155.99 19.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.602 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.7 ttpm? -52.57 -44.23 65.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.486 . . . . 0.0 110.817 174.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' H ' HG22 ' A' ' 48' ' ' THR . 2.2 mm-40 -67.79 -28.38 67.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.408 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.82 -30.21 63.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.937 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.54 -35.4 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.519 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.57 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -57.57 -18.87 21.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.8 m -98.35 -42.94 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.3 mt -79.72 -36.24 37.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.609 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 56.3 mm-40 -51.93 -53.66 49.0 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 46.0 Cg_exo -52.83 -37.95 77.53 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.355 2.037 . . . . 0.0 113.559 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 55' ' ' THR . 8.7 mp -69.68 -53.87 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -170.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -65.11 -29.52 70.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.756 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.29 -0.31 3.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.797 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.683 ' HB3' HG12 ' A' ' 99' ' ' ILE . 94.1 mttt -87.25 0.58 55.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 175.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 66' ' ' ILE . 45.7 m-85 -112.52 -17.87 12.55 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.614 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 1.4 pptp? -51.81 115.07 1.48 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.522 0.677 . . . . 0.0 112.612 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.6 m120 65.68 30.78 10.18 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.587 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 62' ' ' LYS . 39.5 mt -73.4 -33.28 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.864 0.84 . . . . 0.0 109.508 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.86 -149.08 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.436 -1.256 . . . . 0.0 108.0 -175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.39 54.05 2.35 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.337 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 86' ' ' ILE . 3.7 m -110.21 124.92 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.178 0.513 . . . . 0.0 110.874 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.41 116.12 27.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -93.11 125.03 37.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 83' ' ' ASN . 66.0 mttp -130.73 96.19 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.87 0.367 . . . . 0.0 110.502 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.514 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 74.3 mt -83.53 105.92 14.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.277 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.5 p -106.64 109.98 22.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.42 0.628 . . . . 0.0 110.807 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 62.6 m-85 -99.15 134.99 41.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.0 p -101.83 -77.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.048 0.451 . . . . 0.0 110.726 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -174.16 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.217 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m -109.89 -23.9 11.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -143.91 166.48 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.8 140.46 44.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' THR . 74.9 mt-30 -117.27 122.74 44.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.916 0.389 . . . . 0.0 111.487 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 31.2 mt-10 -84.9 90.47 7.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 169.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 13.7 m120 -78.82 94.17 5.12 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 t -111.52 128.85 67.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.166 0.508 . . . . 0.0 111.409 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.687 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.5 m -110.88 111.4 22.52 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HA ' HG12 ' A' ' 69' ' ' VAL . 72.5 mt -110.29 107.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.8 t70 -69.34 126.94 31.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 78.8 mtp -107.12 17.18 23.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 31' ' ' LEU . 45.4 mt-10 -94.93 -34.87 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -115.07 22.36 13.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.45 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -52.38 110.27 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 121.105 0.479 . . . . 0.0 111.168 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.8 89.25 5.8 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 70.5 m-85 -65.68 -15.81 63.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -66.01 -48.09 72.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.541 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.5 49.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.716 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 33.0 mt -60.41 -19.18 55.18 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.44 -21.94 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.834 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.43 -2.68 63.49 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.683 HG12 ' HB3' ' A' ' 62' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.756 0.278 . . . . 0.0 110.365 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.617 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -59.65 -52.57 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.848 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -85.11 4.22 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -97.16 -32.22 12.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.22 115.61 1.68 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 109' ' ' ALA . 27.1 mm -85.31 137.31 21.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.364 0.602 . . . . 0.0 111.587 -174.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.48 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 66.6 p -127.14 -172.44 2.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.729 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.78 -47.51 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.13 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.48 ' HB2' ' H ' ' A' ' 114' ' ' THR . 3.7 tp60 -54.94 -71.81 0.08 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.696 173.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -55.94 -30.67 62.04 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -59.07 -62.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.474 . . . . 0.0 110.53 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.08 -41.36 98.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.628 0.728 . . . . 0.0 111.5 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.7 t -79.38 -48.13 21.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 114.674 -1.148 . . . . 0.0 112.354 -169.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.706 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -72.18 -33.52 67.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 0.0 111.079 -179.106 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.18 -21.23 54.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.442 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.5 70.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 110.409 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.18 -15.35 62.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.836 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.22 37.04 25.8 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.167 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 122' ' ' MET . 22.7 m-85 -78.73 161.87 26.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.396 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' A' ' 11' ' ' SER . 87.8 tttt -91.92 101.0 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.162 0.506 . . . . 0.0 109.845 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -85.83 126.54 34.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.176 -174.359 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 131' ' ' LYS . 42.9 t -117.85 -20.7 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 129' ' ' GLU . 13.7 mptt . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -165.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.149 0.499 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 66.4 mt-10 -97.69 137.27 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -95.45 111.69 23.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -114.1 115.53 27.69 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 37.0 ttpt -107.23 147.35 30.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 21' ' ' ILE . 3.8 p90 -126.62 144.47 50.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 164.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -137.83 106.55 5.9 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.027 0.442 . . . . 0.0 110.396 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.33 122.97 41.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 18' ' ' GLU . 5.4 t30 -80.94 93.91 6.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.35 84.28 7.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.824 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 62.52 8.27 2.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.862 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.61 -44.64 0.62 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.909 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 HG12 ' A' ' 39' ' ' ILE . 1.9 p -82.28 118.88 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.933 0.396 . . . . 0.0 110.842 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.6 mt-10 -86.41 96.06 9.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.329 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.532 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -93.03 110.29 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.263 0.554 . . . . 0.0 110.992 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.93 108.91 19.34 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.35 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 43.8 mt -112.85 113.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.089 -177.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.44 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 7.8 m -104.93 108.53 20.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.683 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -106.0 120.51 41.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.415 0.626 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 93.1 t -91.48 121.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.501 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 28.2 p90 -119.31 154.47 33.46 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.459 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 4.0 ttmp? -123.42 94.96 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.08 -116.2 4.22 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.995 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.52 -12.31 29.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.796 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' A' ' 31' ' ' LEU . 16.6 ttmm -112.67 121.77 45.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -170.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.6 t -76.16 133.22 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.545 HD22 ' HG2' ' A' ' 89' ' ' GLU . 94.7 mt -121.41 -3.2 9.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -166.27 117.19 0.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.911 0.386 . . . . 0.0 111.23 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -111.41 103.97 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -90.02 100.71 13.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.27 0.557 . . . . 0.0 110.363 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' HG12 ' A' ' 21' ' ' ILE . 6.1 m -105.08 113.08 26.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.222 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.6 tt0 -114.38 111.15 21.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.235 0.54 . . . . 0.0 110.266 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 19.6 m -89.48 108.46 19.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.029 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.3 tttm -87.15 108.38 18.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.476 0.655 . . . . 0.0 109.863 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 17' ' ' THR . 45.1 mt -107.9 133.49 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.453 -173.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.55 139.65 30.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.033 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.97 -31.8 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.34 63.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.406 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -88.77 -43.13 11.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 0.0 110.393 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 tt -79.05 -18.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.973 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.16 38.01 16.59 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.407 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.56 116.24 31.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.32 . . . . 0.0 110.339 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 -14.04 51.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.765 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -151.57 176.42 11.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.089 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.91 -35.58 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.12 -43.35 95.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.967 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.525 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 1.1 m-20 -60.37 -37.0 79.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.82 -53.53 17.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -62.07 -46.4 89.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.064 -176.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 63.5 pttt -59.8 -19.24 49.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.785 0.326 . . . . 0.0 111.285 -176.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' HD13 ' A' ' 59' ' ' LEU . 16.6 m -99.13 -41.75 7.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.341 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.09 -31.53 23.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 47.7 mt-10 -60.3 -50.86 83.92 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 26.2 Cg_endo -64.2 -14.2 42.39 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.852 1.702 . . . . 0.0 112.51 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 55' ' ' THR . 6.9 mp -84.88 -50.75 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.713 0.292 . . . . 0.0 110.326 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 73' ' ' LEU . 8.7 p -70.12 -16.06 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.08 62.38 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -75.04 -4.94 41.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -114.24 22.41 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -105.88 -5.54 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -133.89 11.85 3.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.616 HG21 ' HG ' ' A' ' 96' ' ' LEU . 37.2 mt -92.7 -90.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.048 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.48 -146.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.357 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.88 52.91 2.5 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -92.94 112.97 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.447 0.642 . . . . 0.0 110.902 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 49.2 mt-10 -96.62 148.49 22.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.607 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.36 151.95 50.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 111.256 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 21.2 mtpp -144.26 100.03 3.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 60' ' ' SER . 85.4 mt -80.83 99.72 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.72 108.82 17.62 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 -174.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -114.27 120.03 39.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.092 0.472 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.7 m -69.2 -58.44 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 179.07 -48.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.03 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -95.79 -19.22 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.182 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -146.71 158.03 43.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.864 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.87 136.64 54.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.572 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -104.98 112.25 25.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 40.4 tt0 -91.63 82.48 5.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 26.0 t-20 -83.03 106.83 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.57 109.69 29.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 111.086 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 92.3 m -95.81 102.77 14.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.13 0.491 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.721 ' HA ' HG12 ' A' ' 69' ' ' VAL . 64.9 mt -94.93 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.2 t70 -74.6 122.12 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.095 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.67 ' HA ' HG13 ' A' ' 91' ' ' VAL . 58.8 mtt -98.82 16.17 23.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.495 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.545 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.7 mt-10 -98.89 -19.89 17.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 0.0 110.251 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -131.19 26.87 4.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.181 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -57.16 139.8 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.444 0.64 . . . . 0.0 112.702 -178.093 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -110.56 98.98 8.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.137 171.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.563 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 88.1 m-85 -76.53 -1.42 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 110.606 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -70.0 -51.41 32.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.841 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -70.74 -43.61 68.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.143 0.497 . . . . 0.0 110.071 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 66' ' ' ILE . 24.1 mt -68.36 -9.19 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.35 -44.28 92.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.34 -27.18 10.19 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.593 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.404 ' OD2' ' HG3' ' A' ' 117' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.76 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -72.63 -19.14 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.318 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -89.38 -52.51 5.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.521 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 152.14 119.72 0.83 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.083 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.2 mm -83.45 124.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 111.397 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -127.2 -176.55 3.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.483 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.492 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 2.6 tpt -65.61 -48.6 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.472 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.2 67.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.404 ' HG3' ' OD2' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -58.63 -66.8 0.44 Allowed 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.659 176.009 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.519 ' O ' ' HB2' ' A' ' 122' ' ' MET . 6.2 ttm -54.38 -34.92 62.19 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 5.6 mm-40 -59.99 -64.01 1.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.022 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.19 -36.16 81.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.489 0.662 . . . . 0.0 111.145 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 6.8 t -75.13 -47.75 34.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.025 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -71.04 -33.76 70.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.135 -0.353 . . . . 0.0 111.235 -178.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 30.3 mtpp -71.12 -27.69 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 0.0 110.165 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.62 61.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.59 -6.19 58.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.81 29.39 54.85 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.182 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.464 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 17.4 m-85 -83.67 146.57 28.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.52 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -99.76 118.47 36.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.512 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.46 96.63 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.765 0.793 . . . . 0.0 111.353 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.02 104.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.495 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.9 mttp . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.371 -178.36 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.0 mm-40 -98.32 133.65 42.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.732 -169.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -109.48 117.83 35.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 32.6 mtpt -113.33 110.42 20.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.56 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' A' ' 22' ' ' THR . 21.2 ttmm -106.87 97.76 7.51 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.775 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 6.4 p90 -94.57 142.35 27.54 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 33.0 t -143.05 123.11 13.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.154 0.502 . . . . 0.0 110.598 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.92 126.12 43.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.447 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -76.52 106.35 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -83.49 -156.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.78 -58.32 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.878 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.14 7.27 4.39 Favored Glycine 0 C--N 1.311 -0.818 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.677 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 39' ' ' ILE . 39.0 m -136.58 117.92 14.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 42.6 mt-10 -87.19 117.59 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 175.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' SER . 62.1 mt -100.83 108.18 22.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.908 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -113.27 109.45 18.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.751 175.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.686 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 54.5 mt -108.18 111.17 34.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.805 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.0 m -94.77 96.25 9.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.708 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -104.0 133.1 49.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.693 0.758 . . . . 0.0 111.058 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 74.9 t -104.48 113.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.478 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 45.1 p90 -112.78 154.56 26.03 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.438 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -133.05 90.49 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 -117.16 4.35 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.168 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -11.85 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.369 . . . . 0.0 110.683 175.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.3 tmtm? -94.25 112.62 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.032 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 11.3 t -79.65 119.11 28.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' HD2' ' A' ' 29' ' ' LYS . 95.9 mt -100.73 -17.55 16.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -169.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 51.6 tttp -153.35 141.64 20.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.56 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.08 148.12 52.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.567 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 50.7 m -140.3 99.02 3.56 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.045 0.45 . . . . 0.0 110.069 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HG12 ' A' ' 21' ' ' ILE . 46.5 m -97.49 97.56 9.19 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.484 0.659 . . . . 0.0 109.735 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -99.83 112.74 24.98 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.548 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 29.9 p -103.35 122.79 45.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.101 0.477 . . . . 0.0 111.367 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.538 ' HG3' ' CD1' ' A' ' 79' ' ' TYR . 4.1 ttmp? -94.22 99.53 11.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 17' ' ' THR . 4.6 mp -96.75 117.54 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.465 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.38 143.92 46.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.432 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 7.0 m-30 -62.3 -24.74 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.507 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.79 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -88.0 -23.17 23.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.399 . . . . 0.0 110.551 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' A' ' 55' ' ' THR . 3.4 tt -98.11 -27.49 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.784 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.78 30.64 14.53 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.369 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.6 39.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.929 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.7 p -83.73 -29.4 27.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.605 0.716 . . . . 0.0 110.222 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 50' ' ' GLU . 14.4 t -156.12 -174.12 4.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.136 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -64.07 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.644 ' H ' HG23 ' A' ' 48' ' ' THR . 30.7 tt0 -60.28 -57.48 12.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.568 0.223 . . . . 0.0 110.503 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.51 -36.29 75.8 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.076 0.465 . . . . 0.0 110.329 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.79 76.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.315 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.82 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.688 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' HG2' ' A' ' 50' ' ' GLU . 36.0 mtpt -49.72 -32.1 12.77 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.585 ' HB ' HD11 ' A' ' 44' ' ' ILE . 4.4 m -99.49 -42.97 6.71 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 79.7 mt -89.08 -15.03 34.95 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -171.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 31.9 mm-40 -62.56 -55.56 37.98 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 122.204 -0.31 . . . . 0.0 110.726 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 53.0 Cg_exo -54.92 -28.02 56.85 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 122.079 1.853 . . . . 0.0 112.321 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 28.7 tp -66.14 -58.34 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.596 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p -78.2 -17.37 56.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.502 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.2 2.58 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 99' ' ' ILE . 61.7 mttp -78.6 -25.76 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.57 0.224 . . . . 0.0 110.712 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -96.87 22.18 8.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.49 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.69 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -174.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t30 47.11 64.14 1.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.593 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 62' ' ' LYS . 28.9 mt -85.7 -28.6 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.084 0.945 . . . . 0.0 108.635 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -165.62 -146.7 0.09 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.985 -1.462 . . . . 0.0 107.998 -175.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.27 45.85 2.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.402 172.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 86' ' ' ILE . 4.3 m -104.82 127.11 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 121.014 0.435 . . . . 0.0 110.967 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.45 110.27 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.474 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 93.92 9.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 174.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 19.2 ttmt -111.41 96.29 6.02 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.342 -169.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 42.4 mt -84.82 106.55 16.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.506 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -101.8 117.61 35.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.153 0.502 . . . . 0.0 110.147 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -84.72 109.91 18.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -82.37 -66.27 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 t70 173.33 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.072 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 m -93.87 -16.01 24.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.357 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' HG3' ' A' ' 38' ' ' LYS . 48.1 p90 -150.29 170.89 17.93 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.22 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.27 130.59 56.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.645 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.81 108.4 20.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.642 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.5 tt0 -91.53 86.74 6.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.29 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -80.36 95.54 6.41 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HG2' ' A' ' 82' ' ' GLU . 46.7 t -98.52 108.21 21.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.944 0.402 . . . . 0.0 111.023 -175.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 10.4 m -92.04 98.61 11.66 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.873 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.5 mt -93.41 112.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' HB3' HG13 ' A' ' 91' ' ' VAL . 17.6 t70 -68.32 162.85 24.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.469 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.419 ' HB2' ' C ' ' A' ' 31' ' ' LEU . 42.3 mtt -136.73 18.7 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -115.43 -40.62 3.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -114.28 10.59 17.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.861 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -79.03 179.38 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.077 0.941 . . . . 0.0 113.433 -176.597 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.59 104.65 5.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.562 170.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -64.79 -25.81 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.555 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.08 -52.81 63.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.128 0.49 . . . . 0.0 109.991 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.84 -27.15 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.274 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 99' ' ' ILE . 72.7 mt -83.17 -12.41 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.67 -43.99 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.526 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.69 16.18 51.86 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 62' ' ' LYS . 47.2 mm . . . . . 0 C--N 1.325 -0.497 0 CA-C-O 120.709 0.29 . . . . 0.0 111.385 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.656 0.265 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.23 -45.39 48.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.694 0.283 . . . . 0.0 111.254 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.13 -20.88 33.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.469 . . . . 0.0 110.977 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.77 136.88 9.37 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.167 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.71 120.21 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.232 0.539 . . . . 0.0 111.409 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.62 168.66 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.248 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.9 tpt -69.65 -40.53 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.04 69.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -58.99 -66.0 0.58 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.474 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 20.6 mmt -44.9 -47.08 11.21 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -56.34 -57.24 13.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.536 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.79 -27.66 62.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 111.662 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.8 -42.64 19.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.385 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.553 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -69.31 -37.38 77.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.952 0.405 . . . . 0.0 110.328 176.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -70.54 -27.78 64.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.265 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.456 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.03 1.81 54.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.53 46.01 87.1 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.333 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.553 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 29.0 m-85 -78.0 158.79 29.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.909 0.385 . . . . 0.0 110.393 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -108.48 106.06 15.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.48 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 13.8 mt-10 -91.23 121.26 32.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.402 0.62 . . . . 0.0 112.055 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.29 110.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.622 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 131' ' ' LYS . 36.4 mtpt . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.482 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.384 0.611 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 45.7 mt-10 -97.72 137.45 36.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.493 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 t -97.72 112.14 24.15 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HD2' ' HB3' ' A' ' 131' ' ' LYS . 9.9 tptm -113.64 95.18 5.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.761 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.3 ttmm -95.63 123.88 39.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.731 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 3.1 p90 -106.69 139.86 40.46 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 29.7 t -136.57 131.23 33.51 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.81 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.95 128.86 33.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.751 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 1.6 m-20 -104.16 99.13 8.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -175.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 pp -138.15 140.12 39.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 111.724 -174.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.2 t30 59.53 27.0 16.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.375 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' HG ' ' A' ' 43' ' ' SER . . . 74.24 13.85 81.06 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.19 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 HG13 ' A' ' 39' ' ' ILE . 11.3 m -118.39 98.62 6.36 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' A' ' 38' ' ' LYS . 5.9 mt-10 -83.46 96.24 8.51 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 63.7 mt -91.68 125.23 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 -172.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -135.92 102.95 5.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.416 0.627 . . . . 0.0 110.501 174.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.731 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 75.9 mt -93.56 114.95 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.813 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.0 m -103.07 100.62 10.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.901 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 17.6 p90 -106.46 127.94 53.68 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.411 0.624 . . . . 0.0 111.051 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 30.0 t -94.03 118.62 40.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.294 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -127.89 164.58 21.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.269 0.557 . . . . 0.0 111.72 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE3' HD12 ' A' ' 31' ' ' LEU . 17.0 mtmt -142.55 99.6 3.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.412 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.58 -141.41 20.36 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -86.92 5.85 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.175 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' HD23 ' A' ' 31' ' ' LEU . 5.3 tmtt? -108.46 112.23 24.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.519 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.92 127.03 39.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.623 HD23 ' HD2' ' A' ' 29' ' ' LYS . 84.5 mt -109.85 -33.42 6.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.763 0.316 . . . . 0.0 111.455 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 38.4 mmtm -131.48 147.7 52.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.77 0.319 . . . . 0.0 110.969 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.579 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 64.7 tt0 -136.12 139.54 43.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 m -123.81 111.51 16.19 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 m -97.49 99.61 11.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 8.0 tt0 -115.02 108.44 16.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.367 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.725 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 19.4 p -111.41 136.98 49.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.858 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 77.5 tttt -107.86 99.66 9.1 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 HG23 ' A' ' 17' ' ' THR . 4.8 mp -96.03 120.61 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -73.45 143.57 46.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.015 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -58.81 -32.79 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 111.398 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.98 69.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.261 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.437 ' HG ' ' HA3' ' A' ' 16' ' ' GLY . 38.2 m -79.09 -43.78 23.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.176 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.53 HG23 ' H ' ' A' ' 46' ' ' ALA . 7.2 tt -73.35 -25.71 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.78 24.08 58.8 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.723 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -75.4 147.08 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -84.36 -49.38 8.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.448 ' H ' ' HB3' ' A' ' 51' ' ' ASP . 36.7 p -138.61 -178.44 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.98 177.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.63 -31.89 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.57 -43.86 68.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.04 0.448 . . . . 0.0 110.064 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.484 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 34.0 t70 -64.49 -30.47 71.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.357 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.67 93.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.22 79.48 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.61 -12.82 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.408 ' HB ' HD11 ' A' ' 44' ' ' ILE . 24.6 m -98.75 -43.79 6.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.16 -37.51 26.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 21.3 mt-10 -52.49 -53.8 49.49 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 85.8 Cg_exo -44.77 -31.85 5.51 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.136 2.557 . . . . 0.0 113.681 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.3 -59.97 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.691 0.281 . . . . 0.0 110.948 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m -65.93 -27.49 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.964 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.15 -3.6 24.22 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.526 ' HB3' HD13 ' A' ' 99' ' ' ILE . 64.1 mttp -75.28 -14.7 60.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.515 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.5 m-85 -84.26 -29.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.401 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -75.98 34.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -167.523 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.45 -12.51 4.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.2 171.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.767 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.3 mt -89.54 -168.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.488 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.767 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -98.26 129.61 44.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.482 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . 61.39 25.36 64.85 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.389 173.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.1 m -105.41 136.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.082 0.468 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -134.28 103.35 5.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.286 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 3.0 pm0 -85.26 98.48 10.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.761 0.791 . . . . 0.0 110.77 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -100.11 102.32 13.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.094 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 92.9 mt -95.11 105.5 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.846 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -101.88 109.53 21.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.16 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 98.7 m-85 -103.88 138.58 40.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -119.02 -159.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 170.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.56 -6.93 24.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.581 0.705 . . . . 0.0 109.562 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 m -112.77 -39.67 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.66 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -149.81 168.73 22.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 111.198 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.93 44.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.04 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 60.8 tt0 -100.77 115.03 29.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.035 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.725 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.0 tt0 -94.43 97.5 10.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -105.85 97.86 7.63 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 82' ' ' GLU . 57.4 t -108.15 133.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 -173.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 5.5 m -100.04 142.18 31.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 69.4 mt -138.04 126.21 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 21.8 t70 -94.66 106.67 18.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.381 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.554 ' HA ' HG12 ' A' ' 91' ' ' VAL . 29.2 mtt -79.8 17.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.387 -176.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -104.34 -19.87 13.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -140.25 -6.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 88' ' ' MET . 10.4 p -58.75 139.57 18.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.31 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -101.38 114.96 29.43 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 97.9 m-85 -75.21 -15.29 60.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.478 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 1.3 tmmt? -74.6 -27.83 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.406 174.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.68 -27.79 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.299 0.571 . . . . 0.0 109.752 172.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 21.4 mt -76.11 1.21 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 174.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 6.3 tp60 -41.09 -44.88 2.58 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.728 0.811 . . . . 0.0 112.167 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.53 19.25 7.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.75 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 62' ' ' LYS . 13.2 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.768 0.794 . . . . 0.0 109.838 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.678 ' HA ' ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.98 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 111.614 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.71 -17.01 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.515 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.66 18.69 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.463 . . . . 0.0 111.431 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.95 121.99 3.96 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.534 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.2 110.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.496 0.665 . . . . 0.0 111.4 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.7 ' HB ' ' OE1' ' A' ' 117' ' ' GLN . 43.2 m -107.89 149.19 28.6 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.6 tpt -62.17 -30.69 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.578 0.228 . . . . 0.0 111.406 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -53.04 61.09 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.856 0.36 . . . . 0.0 110.115 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.7 ' OE1' ' HB ' ' A' ' 114' ' ' THR . 14.3 mp0 -53.82 -66.91 0.31 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.04 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -54.73 2.4 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.606 0.762 . . . . 0.0 112.904 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -57.58 -57.62 11.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.76 -31.99 72.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.346 0.593 . . . . 0.0 110.993 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 t -75.56 -42.28 41.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.404 -175.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.518 ' HE3' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -62.89 -37.76 88.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.227 0.537 . . . . 0.0 110.234 175.452 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -74.12 -32.89 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.448 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.227 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.17 -10.75 56.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.265 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.24 43.02 26.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.852 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.95 163.74 21.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -90.63 130.22 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.81 72.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.69 ' HB3' ' HD2' ' A' ' 8' ' ' LYS . 2.4 pptp? . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 109.806 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -97.39 125.02 41.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.371 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -103.37 133.62 48.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -125.44 111.67 15.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.978 0.418 . . . . 0.0 110.604 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.533 ' HB2' HG23 ' A' ' 22' ' ' THR . 22.9 ttmm -100.19 117.85 35.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.506 178.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.5 p90 -116.73 152.24 34.72 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.9 t -146.94 118.67 8.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.05 146.06 50.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.02 120.27 39.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.574 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 16' ' ' GLY . 3.8 pp -145.53 142.44 29.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.92 -12.58 0.47 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 111.542 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 115.53 -3.12 21.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -174.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 m -107.56 138.79 43.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.446 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.8 mt-10 -94.27 106.65 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 11' ' ' SER . 53.8 mt -90.86 104.45 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.493 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -109.66 95.02 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 68.6 mt -93.85 117.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.912 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 9' ' ' LYS . 5.2 m -106.31 90.24 3.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.467 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -99.51 132.21 45.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.647 . . . . 0.0 111.352 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -98.91 118.31 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.236 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.5 p90 -109.61 134.91 51.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HB3' HD12 ' A' ' 31' ' ' LEU . 77.2 tttt -114.53 104.56 12.14 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.74 -116.11 4.18 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.161 -171.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.41 -8.92 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.02 0.438 . . . . 0.0 111.09 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 34.9 ttmt -111.46 135.34 52.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.716 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 4.4 t -78.9 118.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 mt -110.83 -3.6 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 33.6 mttp -155.05 131.98 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.753 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 59.1 tt0 -124.26 103.81 8.45 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.792 0.33 . . . . 0.0 110.837 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -85.6 91.25 8.21 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -97.26 108.64 21.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.736 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 38.8 tt0 -122.38 116.0 23.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.58 -176.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 47.5 p -97.73 119.43 36.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.329 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 84.5 tttt -83.71 97.4 9.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -100.77 103.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.004 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -65.15 147.14 54.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -60.91 -23.18 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.91 60.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.83 0.347 . . . . 0.0 111.276 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.3 t -87.14 -14.85 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.925 0.393 . . . . 0.0 110.604 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' ' 55' ' ' THR . 5.4 tt -111.23 -26.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.62 33.72 11.08 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.58 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.46 120.23 39.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -75.71 -31.61 59.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.214 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -129.67 156.11 44.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.427 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -64.33 -24.67 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.183 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -46.23 89.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.764 172.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 58.3 m-20 -61.34 -38.02 85.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.86 -51.61 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.781 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.7 -43.03 99.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.136 0.493 . . . . 0.0 110.818 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 21.1 ttpt -57.79 -22.22 46.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.984 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 44' ' ' ILE . 13.0 m -98.87 -42.88 6.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.008 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 77.5 mt -90.51 -23.93 20.79 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -168.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 39.0 mt-10 -60.7 -48.45 93.13 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.377 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 40.8 Cg_endo -69.77 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.922 1.748 . . . . 0.0 112.404 173.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 21.3 tp -84.23 -44.76 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 77.2 p -76.66 -15.45 59.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.435 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.13 2.26 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.273 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HB3' HG23 ' A' ' 99' ' ' ILE . 93.5 mttt -77.23 -27.31 53.33 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.349 -0.22 . . . . 0.0 110.59 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.5 m-85 -84.66 -54.34 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.918 -176.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 56.81 -86.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.07 26.01 5.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -168.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 99' ' ' ILE . 46.0 mt -66.55 94.27 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.091 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.15 -86.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.118 0.567 . . . . 0.0 112.33 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.8 44.01 1.0 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 86' ' ' ILE . 12.8 m -82.1 110.86 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 11.8 mm-40 -93.8 108.03 19.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.53 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 7.0 pt-20 -94.84 96.48 9.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.377 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -116.84 115.55 25.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.124 0.487 . . . . 0.0 111.484 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 82' ' ' GLU . 63.0 mt -99.99 106.85 18.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.047 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 17.0 p -101.7 109.76 21.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.485 0.66 . . . . 0.0 110.982 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 42.2 m-85 -94.36 108.49 20.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.573 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -81.29 -76.84 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 0.0 111.45 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -145.59 -61.96 0.34 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.096 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -119.9 4.35 10.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 111.053 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -147.78 146.6 29.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.09 54.47 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.203 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 27.0 mt-30 -101.15 110.26 22.26 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.736 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.4 tt0 -83.8 86.29 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -90.2 96.88 10.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 82' ' ' GLU . 48.6 t -102.85 118.8 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.997 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 19.3 m -102.14 99.53 9.67 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.663 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.1 mt -93.53 113.2 27.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.54 108.27 6.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 76.9 mtp -91.72 3.19 55.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.93 -35.19 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -133.55 37.36 3.31 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.911 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.583 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -56.02 130.01 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.946 176.031 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.96 100.59 13.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 75.3 m-85 -73.88 1.26 11.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -89.88 -54.12 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.821 0.343 . . . . 0.0 110.165 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.88 -31.33 66.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.945 0.402 . . . . 0.0 110.596 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.53 -30.99 61.71 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.513 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 81.7 mm-40 -61.9 -37.95 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.212 -177.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.47 -5.45 60.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.767 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 62' ' ' LYS . 92.0 mt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.505 ' OD1' ' HG2' ' A' ' 117' ' ' GLN . 21.6 t0 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.44 -18.87 65.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.35 -11.2 24.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.47 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.79 -56.44 2.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.365 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 150.05 105.41 0.33 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.642 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.67 104.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.193 0.52 . . . . 0.0 111.188 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.4 p -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.939 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -70.05 -37.01 75.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.919 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.09 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.505 ' HG2' ' OD1' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -66.34 -61.87 1.77 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.097 174.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 13.4 mmt -46.3 -39.9 10.83 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.36 -60.58 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.955 0.407 . . . . 0.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.05 -32.45 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 111.577 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.6 t -71.51 -45.56 67.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.621 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -67.47 -36.38 81.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.824 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -67.84 -30.79 70.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.08 -31.81 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.007 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.21 -12.98 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.159 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.33 27.91 34.96 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.061 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.621 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.0 m-85 -83.78 143.88 29.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 0.0 110.381 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -107.82 128.87 54.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.31 0.576 . . . . 0.0 110.785 -177.644 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -91.14 127.5 36.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.424 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -84.24 -33.2 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.788 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 28.0 ttmt . . . . . 0 N--CA 1.468 0.45 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.636 171.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HG2' ' HE2' ' A' ' 26' ' ' LYS . 43.7 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.551 ' OE2' ' HE3' ' A' ' 8' ' ' LYS . 34.4 tt0 -97.56 139.1 33.97 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.141 -173.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 m -101.6 114.16 27.95 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.936 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HE3' ' OE2' ' A' ' 6' ' ' GLU . 19.5 mmtp -112.78 94.44 4.91 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.394 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 22.6 ttmm -88.83 144.3 26.32 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 8.6 p90 -131.66 143.06 50.02 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 168.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.8 p -120.77 106.2 11.46 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.799 -175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.03 110.98 22.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.977 0.418 . . . . 0.0 110.593 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -94.05 89.45 6.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -110.38 105.23 14.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.491 0.663 . . . . 0.0 111.349 -177.684 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.5 57.05 6.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.38 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 79.8 -15.28 15.42 Favored Glycine 0 CA--C 1.517 0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.856 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 14' ' ' LEU . 20.7 m -93.55 105.59 17.63 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.358 -0.495 . . . . 0.0 110.363 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 8.6 mt-10 -89.76 96.04 10.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.543 HG12 HG23 ' A' ' 37' ' ' THR . 40.1 mt -91.25 103.63 14.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.33 0.586 . . . . 0.0 109.793 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -108.68 99.58 8.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.048 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.685 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 66.5 mt -98.52 120.22 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.093 0.473 . . . . 0.0 110.47 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 7.0 m -98.73 103.73 15.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.318 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.657 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 41.4 t -96.15 101.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 169.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.9 p90 -114.46 155.6 26.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.843 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 39.6 ttmt -133.87 108.3 8.36 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.768 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.56 -118.52 4.68 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -171.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.31 -8.18 13.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.103 0.452 . . . . 0.0 111.82 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' A' ' 31' ' ' LEU . 22.9 ttmt -99.51 133.7 43.46 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.264 177.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 24.3 t -79.75 101.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.7 mt -80.49 -26.01 38.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.609 -171.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 68.7 mttm -136.47 117.06 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.632 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -108.12 102.06 11.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.627 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 53.2 m -85.29 102.67 13.56 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 22.8 t -97.56 92.77 6.07 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.77 96.33 7.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.783 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.543 HG23 HG12 ' A' ' 19' ' ' ILE . 87.8 m -94.54 107.7 19.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.146 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 81' ' ' GLN . 34.9 ttmt -92.32 103.01 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.944 0.402 . . . . 0.0 110.528 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -100.4 124.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 25.7 mm-40 -73.07 153.15 40.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 175.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -59.59 -30.66 68.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 110.95 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 -25.01 63.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -83.09 -38.78 22.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.946 0.403 . . . . 0.0 110.78 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.1 tt -85.96 -27.97 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.02 46.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.163 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.571 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -90.87 128.52 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.605 0.24 . . . . 0.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 m -69.12 -44.47 72.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -132.97 -179.34 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.78 -34.11 73.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.5 -49.86 75.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.549 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.85 -36.79 85.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.691 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.08 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.92 -38.67 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -58.48 -25.5 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.7 m -94.02 -41.38 9.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.715 0.293 . . . . 0.0 111.284 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -82.19 -37.31 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -171.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 29.3 mt-10 -56.84 -53.18 67.63 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.765 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.3 Cg_endo -67.62 -16.41 46.76 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.742 1.628 . . . . 0.0 112.463 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.39 -41.74 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.5 m -63.46 -28.25 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.32 0.581 . . . . 0.0 110.016 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.47 -10.45 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.542 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -72.85 -23.83 60.8 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.036 0.446 . . . . 0.0 109.81 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.715 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.4 m-85 -79.65 -57.35 3.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 56.4 tttm 59.07 -93.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.127 174.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' OD1' ' HG2' ' A' ' 64' ' ' LYS . 21.9 m120 -139.7 39.09 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.344 0.127 . . . . 0.0 111.344 -175.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.715 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.4 mt -57.79 -40.04 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.571 0.7 . . . . 0.0 110.363 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 91' ' ' VAL . . . -168.49 -147.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.426 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.09 43.41 2.23 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.058 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.1 m -82.48 99.05 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.926 0.869 . . . . 0.0 110.564 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 9.6 tp10 -100.1 108.01 20.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.106 -175.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.85 108.04 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.244 0.545 . . . . 0.0 110.891 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 65.5 tttm -108.65 103.52 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.074 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.12 115.42 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.1 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -107.7 108.99 20.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 67.8 m-85 -97.57 102.23 13.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 m -88.45 -40.82 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.746 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -174.75 -79.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.962 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 78' ' ' THR . 16.3 m -115.81 19.67 15.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.414 1.102 . . . . 0.0 109.434 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.13 156.56 37.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.629 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.54 124.65 36.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.135 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.642 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 27.0 tt0 -102.44 120.14 40.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.196 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -83.63 94.6 8.13 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 49.1 t-20 -78.56 91.5 4.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.25 130.61 44.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.964 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 4.1 m -112.59 102.97 11.02 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -99.8 109.44 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.767 0.318 . . . . 0.0 110.75 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.9 t70 -86.11 111.67 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.7 mmt -83.17 3.92 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.221 -171.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.66 -11.22 40.47 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.922 0.391 . . . . 0.0 110.477 176.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -130.63 -0.33 4.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.573 -176.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -57.63 129.17 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -174.216 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.82 107.39 19.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.296 -0.865 . . . . 0.0 108.976 168.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 96.4 m-85 -72.08 -11.91 60.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.389 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.1 -42.54 69.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.041 0.448 . . . . 0.0 110.045 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 -32.22 43.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.192 0.52 . . . . 0.0 110.433 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -68.72 -17.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.76 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -57.22 -31.31 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.55 -47.48 5.12 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.919 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 66' ' ' ILE . 10.1 pt . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.196 0.522 . . . . 0.0 110.776 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 111' ' ' LYS . 14.0 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.63 72.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.065 0.46 . . . . 0.0 110.463 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.6 4.36 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 111' ' ' LYS . 34.6 ttmt -101.94 -39.37 7.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.834 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.04 108.35 2.41 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -75.04 112.44 12.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.471 0.653 . . . . 0.0 111.875 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 p -107.29 172.28 6.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.098 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -76.0 -31.1 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.563 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.63 85.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.763 174.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.425 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 1.5 tp60 -56.74 -64.56 0.83 Allowed 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.645 171.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.69 ' O ' ' HG2' ' A' ' 122' ' ' MET . 17.6 mmt -51.17 -46.77 62.19 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -55.05 -58.98 5.45 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.186 0.517 . . . . 0.0 111.343 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 0.0 111.524 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 4.0 t -76.68 -33.17 21.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.571 -174.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG2' ' O ' ' A' ' 118' ' ' MET . 30.9 mmt -66.73 -40.41 88.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.54 -30.43 71.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.903 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.91 50.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.481 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.73 -12.12 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.167 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 43.88 14.44 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.01 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.403 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 25.5 m-85 -80.89 151.35 28.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.765 0.317 . . . . 0.0 110.541 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -94.55 111.46 23.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 134.4 45.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.606 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.553 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 90.4 t -133.37 78.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.158 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt . . . . . 0 C--O 1.235 0.314 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.178 174.798 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 2.2 mp0 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.318 0.58 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -100.79 129.84 46.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.196 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -104.77 131.36 52.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.807 0.337 . . . . 0.0 111.689 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 60.2 tttt -139.13 127.54 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HD3' ' OG1' ' A' ' 22' ' ' THR . 36.2 ttpt -117.41 142.91 46.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.638 0.256 . . . . 0.0 110.82 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 16.0 p90 -130.12 148.62 51.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t -137.86 115.46 11.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.226 0.536 . . . . 0.0 110.428 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.75 112.95 18.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.531 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -86.98 109.31 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 pp -125.68 122.52 36.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 71.13 -39.86 0.46 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.6 0.76 . . . . 0.0 112.108 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.682 ' HA3' ' HB3' ' A' ' 43' ' ' SER . . . 158.43 -13.89 0.24 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 -176.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 HG22 HG13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -87.29 108.15 18.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.206 173.272 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 6.6 mt-10 -87.83 95.81 10.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.486 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.554 HG12 HG23 ' A' ' 37' ' ' THR . 63.6 mt -96.49 107.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -175.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.54 104.27 11.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.362 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 76.4 mt -100.43 113.05 34.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.559 -177.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 23.8 m -92.08 93.72 8.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' ' HD3' ' A' ' 8' ' ' LYS . 46.4 p90 -102.98 136.0 43.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.629 0.728 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 94.3 t -105.29 118.11 52.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 33.2 p90 -112.04 167.87 10.05 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -143.92 93.36 2.44 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.27 -115.62 4.07 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.485 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -103.17 -6.22 22.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.024 0.412 . . . . 0.0 111.694 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HD3' HD21 ' A' ' 31' ' ' LEU . 76.0 tttt -109.84 134.13 52.39 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.813 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.9 t -80.48 123.9 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 168.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD21 ' HD3' ' A' ' 29' ' ' LYS . 78.4 mt -106.86 -14.02 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -150.58 139.64 21.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -128.68 105.33 8.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -94.16 96.48 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 21' ' ' ILE . 7.6 p -97.24 94.54 7.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.43 0.633 . . . . 0.0 110.47 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.76 111.63 23.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.113 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -109.02 113.36 26.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.218 0.532 . . . . 0.0 110.564 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 42.9 tttm -94.83 98.4 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.891 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.526 HG13 HG22 ' A' ' 17' ' ' THR . 4.0 mp -94.47 114.82 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.516 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.8 147.61 53.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HA ' HG22 ' A' ' 44' ' ' ILE . 8.7 m-30 -64.07 -20.77 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.985 179.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.48 -28.16 60.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.682 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 11.2 p -91.33 -31.24 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 0.0 111.502 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 ' HB ' HG21 ' A' ' 39' ' ' ILE . 9.3 tt -81.51 -30.64 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 26.68 22.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.667 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -91.19 136.01 33.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.389 . . . . 0.0 110.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -102.96 -11.41 18.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -155.93 159.33 39.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.621 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 75' ' ' TYR . 36.7 ttpt -54.53 -56.57 17.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.623 0.249 . . . . 0.0 111.378 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -31.63 72.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.22 0.533 . . . . 0.0 110.378 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.12 -41.75 97.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.491 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.27 90.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.312 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.87 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.885 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.18 -20.58 55.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.639 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -98.85 -34.05 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.51 HD12 ' HE1' ' A' ' 75' ' ' TYR . 95.6 mt -87.14 -33.58 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -175.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.81 -52.65 65.73 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 -8.57 23.19 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.749 1.632 . . . . 0.0 112.54 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tt -90.7 -54.85 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.654 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 m -65.07 -25.16 67.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.832 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.78 -10.09 49.73 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.591 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.84 -23.59 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.38 22.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.668 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.75 90.0 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.421 0.688 . . . . 0.0 111.791 -177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 48.23 47.05 19.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.2 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.8 -48.15 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 122.044 0.926 . . . . 0.0 109.081 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . . . -151.89 -152.77 0.44 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.12 -1.4 . . . . 0.0 107.731 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.45 53.16 3.15 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.429 -1.069 . . . . 0.0 110.429 171.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 86' ' ' ILE . 17.0 m -89.38 108.05 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.432 0.634 . . . . 0.0 111.092 -173.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 8.3 mm-40 -93.83 116.02 28.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.28 177.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 115.34 30.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 0.0 110.686 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.5 mptp? -115.3 99.83 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.01 0.433 . . . . 0.0 111.053 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.87 98.81 9.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.681 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.7 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 78.0 p -102.86 119.79 39.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.077 0.465 . . . . 0.0 110.587 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HE1' HD12 ' A' ' 56' ' ' LEU . 44.6 m-85 -107.25 103.09 12.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.84 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -79.17 -69.77 0.55 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -161.49 -53.35 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.968 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -121.01 9.64 10.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -154.25 154.44 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.964 0.412 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.57 118.02 31.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.506 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.7 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 53.6 tt0 -98.08 100.42 11.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -86.45 92.6 8.9 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -85.9 102.88 14.12 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.15 142.02 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.056 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 19.3 m -131.56 100.16 5.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.4 136.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.064 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -90.57 136.17 33.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.116 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.2 mmm -96.12 23.92 6.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.386 0.612 . . . . 0.0 109.987 -174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.22 -45.58 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.953 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 75.4 tttt -97.85 3.93 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.18 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -48.55 110.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.113 0.482 . . . . 0.0 112.203 -179.126 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -87.56 98.77 11.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.453 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 56.0 m-85 -71.7 -15.43 62.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.351 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' C ' ' HD3' ' A' ' 94' ' ' LYS . 7.8 tmtm? -73.63 -44.59 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.22 81.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.011 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 2.0 mt -64.39 -23.19 67.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.409 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.11 -40.54 58.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.67 0.388 . . . . 0.0 111.61 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.26 3.88 69.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.962 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.342 0.592 . . . . 0.0 110.676 -176.385 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.25 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -60.7 -32.56 71.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.691 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' LYS . 48.4 tptt -92.88 8.53 39.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.7 157.48 22.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.447 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.2 mm -110.04 129.83 64.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 111.208 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -127.59 172.04 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.52 -33.12 66.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.039 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.55 87.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.323 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.37 -62.33 1.67 Allowed 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.687 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.561 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -47.36 -36.23 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.203 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -61.71 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.784 0.326 . . . . 0.0 111.397 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -51.78 66.23 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.513 0.673 . . . . 0.0 111.322 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 t -55.7 -43.92 75.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.906 -177.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.644 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -69.36 -36.96 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.045 -0.409 . . . . 0.0 111.057 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.14 -23.13 61.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.201 0.524 . . . . 0.0 110.193 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -45.16 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.374 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.57 -25.27 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.153 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.05 25.16 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.295 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 10.5 m-85 -75.08 150.09 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.016 0.436 . . . . 0.0 110.114 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -98.35 95.25 7.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.803 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.02 124.12 22.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.494 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.3 t -107.01 90.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.485 0.659 . . . . 0.0 110.474 178.818 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.13 0.49 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.1 mm-40 -107.7 154.2 21.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.595 -176.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -118.91 118.42 31.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.71 0.29 . . . . 0.0 111.438 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 41.2 ttmt -113.16 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 58.8 tttp -97.91 141.1 31.3 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.2 p90 -130.65 153.2 49.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 51.9 p -135.3 133.01 38.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.147 0.499 . . . . 0.0 111.003 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.88 105.93 5.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.983 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 41.8 t-20 -83.04 102.55 11.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -116.73 112.68 21.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.64 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 64.99 21.01 12.25 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.346 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.37 -10.12 57.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.925 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.559 HG23 HG12 ' A' ' 39' ' ' ILE . 44.8 m -92.75 102.08 14.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.8 mt-10 -84.61 102.86 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.53 HG12 HG22 ' A' ' 37' ' ' THR . 27.3 mt -90.68 105.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -112.71 92.73 4.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.444 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.69 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 50.7 mt -93.71 116.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.224 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 3.1 m -102.14 96.6 7.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.315 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 36.3 p90 -99.69 130.59 45.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.708 0.766 . . . . 0.0 111.447 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 t -96.3 122.77 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.812 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -121.88 148.98 44.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.377 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 31' ' ' LEU . 34.4 mtpt -126.42 101.91 6.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.31 -115.82 4.11 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -170.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.68 8.12 12.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 110.547 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' HG ' ' A' ' 31' ' ' LEU . 12.8 ttmt -100.31 139.19 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG12 ' SD ' ' A' ' 88' ' ' MET . 11.7 t -98.3 123.57 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 26' ' ' LYS . 5.8 mp -109.7 -19.42 13.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -170.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.523 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 97.5 mttt -139.14 118.1 12.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.62 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 52.6 tt0 -107.2 92.41 4.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -86.65 99.79 11.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.164 0.507 . . . . 0.0 109.706 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 21' ' ' ILE . 20.6 p -97.32 96.86 8.67 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 28.7 tt0 -107.64 104.68 14.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.0 -175.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.53 HG22 HG12 ' A' ' 19' ' ' ILE . 1.4 p -96.56 112.79 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.657 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 54.3 tttm -87.57 86.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.565 0.698 . . . . 0.0 109.403 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.559 HG12 HG23 ' A' ' 17' ' ' THR . 47.6 mt -86.86 113.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.297 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 79' ' ' TYR . 12.8 mm100 -72.79 144.69 47.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 4.5 m-30 -61.72 -21.43 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.37 71.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.205 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -75.74 -43.75 45.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.2 tt -75.34 -30.07 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.31 34.58 7.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.785 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.602 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -122.6 162.11 22.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -128.29 -32.47 2.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.352 0.596 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.463 ' HB ' ' OE2' ' A' ' 50' ' ' GLU . 1.8 p -93.32 147.88 22.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.939 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -61.84 -42.66 99.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.985 -173.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 1.3 pm0 -79.91 -19.73 47.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.542 -175.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -77.91 -22.46 49.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.512 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 -38.09 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.573 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -58.76 -38.98 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.273 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 63.7 mttp -51.53 -34.77 37.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.626 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.5 ' HB ' HD11 ' A' ' 44' ' ' ILE . 10.6 m -96.77 -33.55 11.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.833 -175.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 71.9 mt -89.35 -26.28 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 43.9 mt-10 -60.12 -50.88 84.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 O-C-N 122.012 -0.43 . . . . 0.0 111.642 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 37.9 Cg_endo -68.53 -9.75 26.99 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.188 1.925 . . . . 0.0 112.269 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 24.5 tp -76.0 -52.89 9.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -66.31 -33.08 74.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.159 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.9 -2.59 2.71 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.582 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -80.86 -15.69 55.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.7 m-85 -85.7 -57.71 2.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? 55.01 48.84 18.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.55 171.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 50.77 59.65 4.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.332 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.9 mt -58.57 -41.13 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 111.08 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -148.17 -91.57 0.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.279 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.2 7.29 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 86' ' ' ILE . 9.3 m -86.9 110.33 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.68 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -106.83 112.44 25.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.75 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.85 129.05 40.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.52 103.65 5.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 111.762 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 46.5 mt -81.12 107.09 13.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 29.4 p -105.5 109.17 21.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 71.8 m-85 -91.68 126.59 36.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.19 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.6 m -97.06 -60.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.491 . . . . 0.0 110.451 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -179.31 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.324 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 m -93.12 -0.38 57.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.68 0.752 . . . . 0.0 110.32 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 p90 -159.67 161.62 34.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.582 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.94 132.3 47.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.944 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 22.6 mt-30 -103.14 115.36 30.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 8.6 tp10 -92.06 108.42 19.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -98.38 100.53 11.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.715 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 82' ' ' GLU . 53.8 t -104.91 113.07 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.178 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 7.2 m -97.62 104.5 16.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' ' 69' ' ' VAL . 70.4 mt -94.35 108.91 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t70 -72.5 112.94 9.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.62 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 53.8 mtp -95.23 25.07 4.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -113.15 -36.19 5.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.42 0.629 . . . . 0.0 109.679 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 7.3 tmtt? -106.87 9.28 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.399 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -54.93 140.29 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -176.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.18 102.9 13.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.988 -1.005 . . . . 0.0 108.571 169.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 70.2 m-85 -71.35 -17.82 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -174.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 28.1 ttpt -57.65 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.48 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.589 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 14.5 tp -58.38 -34.84 71.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.63 -27.56 66.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.393 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.75 4.83 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.565 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.597 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 t0 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.325 0.583 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -34.76 62.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.231 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.57 -34.09 73.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -93.75 7.61 44.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.837 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.41 134.06 8.25 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.953 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 117' ' ' GLN . 48.8 mm -103.88 126.71 58.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.757 0.313 . . . . 0.0 110.439 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -121.51 -171.99 2.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.471 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 15.3 tpt -65.88 -35.71 81.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.25 86.74 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.486 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' A' ' 113' ' ' ILE . 4.7 mp0 -56.0 -73.81 0.05 Allowed 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 25.9 mmt -38.73 -49.11 1.57 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 115' ' ' MET . 16.7 mm-40 -57.09 -54.09 50.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.002 0.43 . . . . 0.0 111.193 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.89 -30.44 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.183 0.516 . . . . 0.0 111.675 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.94 -39.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.025 -173.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.695 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -73.1 -33.8 65.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 177.149 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.91 -35.63 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -44.0 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.984 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.04 -27.21 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.6 43.09 3.0 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.071 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.695 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 23.5 m-85 -103.65 139.89 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -103.09 144.76 30.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 142.03 32.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.256 0.55 . . . . 0.0 110.699 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.6 t -111.58 88.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 33.3 ttmt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.428 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.313 0.578 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -97.54 124.12 41.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.441 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -96.26 118.39 32.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.231 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -113.16 119.25 37.16 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 44.4 tttp -115.15 146.28 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.798 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.3 p90 -146.51 155.82 42.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 48.2 t -148.01 122.53 9.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.123 0.487 . . . . 0.0 110.352 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.29 119.1 30.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.176 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -79.69 94.31 5.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -81.51 69.55 8.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.6 t30 71.38 -55.35 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.044 0.938 . . . . 0.0 111.362 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.52 -39.93 0.19 Allowed Glycine 0 C--N 1.314 -0.677 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.213 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 HG13 ' A' ' 39' ' ' ILE . 3.8 p -81.08 110.96 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.017 0.437 . . . . 0.0 111.295 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.9 mt-10 -85.16 94.62 8.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 11' ' ' SER . 44.8 mt -93.24 102.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -111.74 102.98 11.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.452 0.644 . . . . 0.0 109.758 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.666 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 61.6 mt -98.16 127.66 50.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 m -114.74 93.77 4.47 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.363 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.872 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 4.6 p90 -101.55 114.36 28.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 111.384 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -85.98 120.35 35.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.921 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -112.49 155.86 23.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -123.1 96.2 4.91 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.53 -116.12 4.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.078 -174.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.44 -12.96 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.994 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -97.67 122.91 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.129 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.64 126.18 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -110.29 -61.99 1.58 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -112.51 116.57 30.46 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.63 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.872 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 28.3 tt0 -113.32 98.87 7.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 p -85.62 103.51 14.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.592 0.711 . . . . 0.0 110.144 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.52 ' HA ' HG12 ' A' ' 21' ' ' ILE . 8.2 m -97.99 96.99 8.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.581 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -99.12 109.16 21.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.45 HG23 HG12 ' A' ' 19' ' ' ILE . 26.5 m -99.7 114.02 26.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.306 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 38.7 tttm -102.17 114.61 28.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.497 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 17' ' ' THR . 3.5 mp -115.21 129.49 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.391 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -81.82 156.41 24.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -61.01 -30.55 70.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.585 0.231 . . . . 0.0 111.474 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.53 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 111.245 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -81.99 -38.97 24.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 46' ' ' ALA . 10.4 tt -81.0 -33.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.978 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.04 15.76 53.04 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.169 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -87.42 131.62 34.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 110.632 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 -14.36 38.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.247 0.546 . . . . 0.0 110.575 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.579 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 32.0 p -140.97 161.89 36.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.789 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -76.98 -19.71 56.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.579 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 24.4 mp0 -66.08 -48.59 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.166 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -72.63 -25.06 61.15 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.564 176.037 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.45 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.88 83.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.187 0.518 . . . . 0.0 110.083 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 51' ' ' ASP . 54.4 tttt -51.4 -30.37 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.796 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.6 m -92.16 -41.4 10.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.7 mt -84.68 -39.28 18.75 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 49.6 mt-10 -49.53 -53.03 44.91 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -175.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.8 Cg_endo -61.31 -16.08 44.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.197 1.932 . . . . 0.0 113.093 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.81 -46.6 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.364 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -64.63 -32.56 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.312 0.577 . . . . 0.0 110.097 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.82 -4.66 21.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 28.4 mtpp -72.54 -28.0 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.656 ' O ' HG13 ' A' ' 66' ' ' ILE . 91.2 m-85 -76.07 -37.76 57.85 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 171.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 43.1 tttm 57.57 -92.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.342 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.41 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 64.2 t30 -172.03 37.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 63' ' ' TYR . 22.2 mt -50.03 -37.91 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.442 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -151.04 -146.01 0.19 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 30.0 1.29 Allowed Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.978 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.788 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.4 m -86.3 102.49 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 110.478 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -93.63 140.79 29.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.495 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 93.77 4.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.624 0.726 . . . . 0.0 110.054 172.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 4.5 ttmp? -100.35 96.95 7.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.371 0.605 . . . . 0.0 109.711 -176.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -86.65 110.59 19.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.467 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.558 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 17.4 p -101.63 109.14 20.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.466 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -94.06 105.67 17.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.208 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.2 m -110.4 146.9 35.03 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.99 -7.9 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 111.724 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -104.48 -30.27 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.862 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -161.92 151.61 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.27 117.6 31.59 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 36.6 tt0 -104.97 120.03 40.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 110.574 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -87.34 91.72 8.82 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 15.4 t-20 -81.1 104.01 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.377 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -108.4 133.44 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.922 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 49.2 m -109.3 107.97 18.38 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.41 HD12 HE21 ' A' ' 33' ' ' GLN . 59.2 mt -99.79 99.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 32.7 t0 -93.37 111.3 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.033 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.6 mmt -80.23 6.96 10.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.484 -168.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' OE2' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -101.86 1.31 36.87 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.296 -174.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HB2' ' OE2' ' A' ' 89' ' ' GLU . 82.6 tttt -143.96 3.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.712 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -67.7 148.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -115.91 104.43 11.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.648 168.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -66.32 -19.85 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.26 -35.85 78.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.71 -25.57 19.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.423 . . . . 0.0 110.83 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 96' ' ' LEU . 3.6 tt -66.39 -32.27 73.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -65.66 -24.5 67.03 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.603 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.0 -19.21 75.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.41 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.413 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 37.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.404 0.621 . . . . 0.0 110.057 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.13 77.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.545 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -77.72 -15.15 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.827 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -95.63 -30.79 13.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.424 . . . . 0.0 111.054 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.95 120.41 4.36 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.39 119.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 0.0 112.234 -171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.8 p -122.3 172.3 8.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.4 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 22.4 tpp -68.62 -40.85 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.338 -0.145 . . . . 0.0 110.796 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.9 -45.46 67.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.136 0.494 . . . . 0.0 110.292 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.64 -63.3 1.21 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.811 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.4 mmt -49.5 -28.45 5.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.45 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.792 0.33 . . . . 0.0 111.319 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.4 -30.18 68.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.15 -43.69 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.87 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.91 -32.57 67.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.651 178.305 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.81 -22.51 59.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.308 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.93 64.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.432 175.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.01 -26.79 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.92 32.18 11.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.089 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.593 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.0 m-85 -76.3 152.24 36.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.024 0.44 . . . . 0.0 111.19 -178.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -92.23 112.54 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.272 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -70.22 136.9 50.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.0 110.861 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.651 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 39.5 t -126.98 83.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.806 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 9.6 tp10 -139.15 142.77 37.99 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.952 -0.467 . . . . 0.0 110.499 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.1 p -116.92 119.24 34.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.321 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -112.98 112.31 23.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.36 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -101.92 137.96 39.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.214 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.52 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p90 -144.54 162.07 37.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 171.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' HG21 ' A' ' 130' ' ' VAL . 52.2 p -154.42 121.67 5.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.43 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.42 114.48 22.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -90.88 104.96 17.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.671 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.42 24.93 2.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.026 0.441 . . . . 0.0 110.397 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 59.26 91.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.111 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 -35.38 4.13 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 16.2 p -128.04 131.5 49.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.758 0.313 . . . . 0.0 110.992 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 18.6 mt-10 -103.03 107.64 18.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.2 mt -99.1 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.109 0.481 . . . . 0.0 110.044 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.15 114.9 25.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.318 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.52 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 36.7 mt -113.11 129.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -112.8 107.43 16.05 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.44 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' SER . 60.9 m-85 -87.45 111.26 20.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.899 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 96.3 t -96.26 103.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 52.5 p90 -122.93 153.21 40.0 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.481 -173.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 17.9 ttmm -114.48 91.1 3.51 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.76 -116.12 5.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.649 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -84.79 -23.71 29.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.472 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 107.8 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.543 -171.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 48.5 t -76.49 119.07 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -102.35 -35.76 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.919 -173.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 66.7 mttm -129.21 117.58 20.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.011 0.434 . . . . 0.0 110.944 177.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -107.55 101.32 10.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 29.0 m -88.11 91.36 8.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.769 176.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -108.16 101.9 11.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CD ' HE21 ' A' ' 81' ' ' GLN . 11.1 tt0 -101.52 136.52 41.23 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.521 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 m -119.64 100.69 7.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 0.0 109.851 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.5 ttmp? -82.27 108.34 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.483 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 50.0 mt -99.82 126.27 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.314 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -78.56 155.11 29.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -74.83 60.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 110.857 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.9 -44.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 m -78.97 -7.42 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.766 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.676 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.0 tt -106.93 -26.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.588 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.34 8.56 87.49 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.783 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.676 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -72.02 121.92 19.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 m -71.03 -48.09 54.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 168.59 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -64.46 -25.63 68.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.051 0.453 . . . . 0.0 109.844 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.45 -48.37 79.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.752 173.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 31.7 m-20 -62.91 -34.57 77.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.39 36.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.613 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.28 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.685 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 16.4 ttpt -56.72 -28.13 60.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.29 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 m -99.22 -38.34 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.821 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -87.61 -30.83 20.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 36.2 mt-10 -58.75 -50.0 90.39 Favored Pre-proline 0 CA--C 1.536 0.44 0 O-C-N 121.981 -0.45 . . . . 0.0 112.208 -177.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 28.2 Cg_endo -65.71 -13.34 39.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.885 1.723 . . . . 0.0 112.506 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 tt -91.94 -41.5 10.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.306 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -67.72 -22.71 65.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.08 -6.01 5.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.147 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG2' HG23 ' A' ' 99' ' ' ILE . 36.5 ttpt -60.04 -38.05 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.027 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.1 m-85 -84.57 -29.93 25.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.633 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 28.5 ttmt 59.48 -96.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 6.0 p30 -172.2 37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 63' ' ' TYR . 17.4 mt -47.35 -45.82 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.243 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -145.97 -145.47 0.17 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.453 -176.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 87' ' ' ASP . . . -78.12 36.91 1.73 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.614 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -93.95 100.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.262 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.58 121.13 40.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.295 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 96.62 7.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.398 0.618 . . . . 0.0 110.084 176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 58.0 mttp -99.92 101.54 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.952 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.35 107.28 16.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.654 173.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.0 p -110.48 115.48 29.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.22 0.534 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -104.66 117.45 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.483 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.9 m -110.52 -40.47 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -164.8 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.87 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 78' ' ' THR . 16.9 m -111.79 13.97 21.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.068 0.937 . . . . 0.0 109.634 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -143.67 147.99 35.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.745 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.07 124.99 45.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.143 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.598 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 47.7 mt-30 -98.19 114.68 26.99 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.348 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -85.29 84.07 7.78 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 34.3 t-20 -82.53 102.38 11.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.11 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.9 116.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.538 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 29.9 m -108.19 120.04 41.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.6 mt -113.22 108.38 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' CB ' ' HA3' ' A' ' 68' ' ' GLY . 4.6 t0 -84.53 109.0 17.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.54 16.06 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 1.43 21.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.26 0.552 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -135.8 -2.81 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.465 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.36 152.94 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 112.885 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -117.76 98.35 6.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.363 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -64.14 -20.75 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.381 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -66.05 -52.53 48.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.362 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.78 71.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.19 -22.22 66.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.692 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.36 -13.02 61.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.319 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.88 20.51 8.62 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.487 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.751 HG23 ' HG2' ' A' ' 62' ' ' LYS . 64.4 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.67 0.271 . . . . 0.0 111.636 -176.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.09 -17.16 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.15 0.5 . . . . 0.0 110.376 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.31 -40.3 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.118 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -70.63 -39.3 73.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.24 135.51 3.69 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.9 mm -86.39 112.81 23.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.9 p -121.91 -173.9 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.214 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.494 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -66.16 -47.5 73.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 178.074 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.17 84.17 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.806 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.524 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -50.92 -64.8 0.7 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 174.549 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 122' ' ' MET . 19.0 mmt -54.79 -39.73 68.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.98 -58.78 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.46 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.88 0.848 . . . . 0.0 111.061 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.0 t -73.83 -43.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.921 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' MET . 16.5 mmt -75.27 -28.24 59.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 111.047 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.28 -31.62 69.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.34 81.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -25.15 53.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.54 45.33 6.16 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.236 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -96.73 176.04 6.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -124.79 136.78 54.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 111.089 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.36 146.98 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.166 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.531 HG21 ' OG ' ' A' ' 11' ' ' SER . 6.8 t -122.82 -35.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.621 -177.662 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 42.8 mt-10 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 5.0 mm-40 -97.15 116.05 28.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.336 0.589 . . . . 0.0 110.618 -164.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -101.6 112.77 25.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.783 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -113.15 117.76 32.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE2' ' OG1' ' A' ' 22' ' ' THR . 37.5 ttmt -105.07 146.53 28.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.33 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.7 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 17.1 p90 -129.7 145.75 51.51 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 167.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 24.6 t -146.54 131.63 18.31 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.506 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.87 24.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.892 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -86.14 108.54 18.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.839 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 mt -82.52 -161.08 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -55.94 -35.39 66.59 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.27 23.46 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 7.6 p -136.66 130.63 32.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.866 0.365 . . . . 0.0 111.295 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 21.3 mt-10 -95.08 103.91 15.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 11' ' ' SER . 37.4 mt -97.45 104.88 16.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.285 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.16 104.31 9.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.316 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 45.8 mt -106.79 115.67 48.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.693 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.418 ' OG1' ' HE2' ' A' ' 9' ' ' LYS . 10.4 m -100.24 94.22 6.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.727 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . 13.3 p90 -88.69 127.4 35.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.512 0.672 . . . . 0.0 110.427 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 57.7 t -102.04 115.22 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.106 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 22.9 p90 -116.14 155.07 28.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.931 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -127.65 97.77 4.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.53 -115.63 4.08 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -105.4 -25.8 12.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 0.0 109.471 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HD2' HD21 ' A' ' 31' ' ' LEU . 4.5 ttmp? -76.43 123.49 26.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.781 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 17.3 t -84.35 128.05 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 HD21 ' HD2' ' A' ' 29' ' ' LYS . 96.5 mt -113.07 -27.98 7.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 98.6 mttt -138.05 150.95 47.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 23' ' ' TYR . 36.6 tt0 -140.5 108.45 5.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -90.4 92.27 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HG12 ' A' ' 21' ' ' ILE . 18.5 m -97.8 94.13 6.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -94.61 127.56 40.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.08 0.467 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG12 ' A' ' 19' ' ' ILE . 40.1 m -118.79 112.77 20.14 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.331 174.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HG2' ' OE1' ' A' ' 40' ' ' GLN . 4.3 ttmp? -91.94 102.14 14.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.04 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 4.5 mp -90.65 113.07 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.003 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HG2' ' A' ' 38' ' ' LYS . 7.6 mm100 -73.62 153.51 40.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.53 64.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 110.807 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.07 -67.35 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.784 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 m -70.0 -25.53 63.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.4 tt -74.32 -24.62 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.68 77.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.317 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.783 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -102.05 152.43 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.46 0.172 . . . . 0.0 110.607 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -134.62 4.31 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.922 0.391 . . . . 0.0 111.614 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -151.0 156.05 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.19 -41.67 96.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.807 0.276 . . . . 0.0 111.387 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.24 -47.68 84.93 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.385 0.612 . . . . 0.0 109.553 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 46' ' ' ALA . 17.5 t70 -62.61 -37.94 88.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.56 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.817 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 75' ' ' TYR . . . -60.38 -43.46 96.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.197 0.522 . . . . 0.0 110.201 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -61.0 -15.68 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.257 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -98.83 -35.56 10.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HE1' ' A' ' 75' ' ' TYR . 71.6 mt -93.04 -25.41 17.95 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 4.8 mm-40 -53.75 -48.95 91.73 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.9 Cg_endo -60.3 -19.39 57.62 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.798 1.665 . . . . 0.0 112.562 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.27 -44.2 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 p -66.73 -27.59 67.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.254 0.55 . . . . 0.0 110.503 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 -11.45 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.462 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.86 -30.66 61.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.719 0.295 . . . . 0.0 110.348 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' HD11 ' A' ' 66' ' ' ILE . 87.5 m-85 -81.64 13.06 3.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.108 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -51.78 96.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.847 0.717 . . . . 0.0 112.317 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 52.83 46.49 26.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.361 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 95' ' ' ALA . 59.7 mt -66.3 -38.77 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.989 0.9 . . . . 0.0 109.391 173.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.86 -149.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.023 -1.444 . . . . 0.0 108.372 -172.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.97 45.01 1.89 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.506 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.5 m -89.64 123.5 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 121.241 0.543 . . . . 0.0 110.325 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 32.7 mt-10 -119.95 93.02 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.47 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.6 pm0 -81.74 101.04 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.653 0.74 . . . . 0.0 109.63 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -100.1 103.44 14.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.059 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.449 HD13 ' OH ' ' A' ' 75' ' ' TYR . 51.4 mt -93.58 114.18 26.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.345 -175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.661 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 79.4 p -118.31 114.66 23.31 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.632 ' HE1' HD12 ' A' ' 56' ' ' LEU . 90.6 m-85 -100.75 136.12 41.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.922 -175.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.0 p -115.96 -155.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.93 -24.03 17.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.8 m -110.15 -33.6 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.818 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -142.1 155.86 45.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.369 0.604 . . . . 0.0 111.86 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.49 119.94 40.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.318 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.661 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.9 OUTLIER -98.12 105.67 17.85 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.49 93.99 5.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.828 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.566 ' HB2' ' OE1' ' A' ' 81' ' ' GLN . 52.1 t30 -88.38 106.31 18.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -96.78 104.96 16.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.403 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 20.3 m -92.89 103.13 15.49 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.15 112.49 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.357 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.6 t70 -79.35 114.81 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.8 mtt -88.91 12.44 15.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -95.28 -41.89 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.179 0.514 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -95.4 0.17 53.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.304 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.82 139.51 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.368 0.604 . . . . 0.0 112.53 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -116.56 96.97 5.75 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.641 174.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -60.14 -37.62 80.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.318 -171.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.29 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.263 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -82.92 -39.06 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 0.0 110.378 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -23.81 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.54 -28.25 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 0.08 77.37 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.859 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 66' ' ' ILE . 4.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.355 0.598 . . . . 0.0 110.019 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 117' ' ' GLN . 24.3 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.138 0.494 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.34 -27.63 65.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.53 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.97 -17.92 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.902 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 111' ' ' LYS . 29.6 ttpt -91.38 -35.26 14.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.56 105.52 1.32 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.197 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.45 110.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.346 0.594 . . . . 0.0 110.957 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -128.02 179.72 5.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.294 178.419 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -57.7 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.747 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.48 72.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.669 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.5 mp0 -58.95 -64.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.48 176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 10.2 mmt -49.87 -37.96 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.459 0.474 . . . . 0.0 111.414 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.2 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.891 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 120' ' ' LEU . 5.4 tt -65.25 -41.47 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 0.0 110.428 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -66.68 -37.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.088 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.2 mmt -76.79 -29.25 55.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -64.14 -39.14 93.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.37 84.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.906 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.43 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.697 0.284 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 81.86 28.99 40.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.178 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.55 159.29 26.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.777 0.322 . . . . 0.0 110.285 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' SER . 39.5 mmtm -90.79 124.86 35.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.417 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -78.64 133.63 37.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.206 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.53 112.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.738 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' A' ' 131' ' ' LYS . 3.6 ptpt . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.782 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 10.5 tp10 -105.12 137.51 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t -96.13 116.08 28.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.296 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 52.5 tttm -123.92 116.02 22.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB2' HG23 ' A' ' 22' ' ' THR . 37.8 ttpt -116.06 139.52 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 111.826 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.687 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 17.6 p90 -126.61 167.11 16.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 170.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -154.74 118.67 4.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 0.0 110.38 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.11 133.21 55.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.691 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -92.75 96.19 10.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.49 101.11 13.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.605 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 63.6 18.52 11.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.85 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.78 -13.39 17.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.178 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 m -109.02 116.86 32.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.2 mt-10 -76.24 140.67 41.71 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 21' ' ' ILE . 17.8 mt -126.08 101.4 8.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.31 99.97 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.881 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 40.1 mt -101.65 117.41 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.9 m -104.87 101.17 10.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.833 174.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -103.75 128.02 51.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.651 0.738 . . . . 0.0 110.97 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 90.9 t -95.73 115.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.249 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -117.54 161.21 19.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.356 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -137.75 104.99 5.45 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -115.98 4.41 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -109.82 6.78 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.646 0.736 . . . . 0.0 109.595 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 34.6 ttmt -105.86 110.63 22.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.712 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.34 119.85 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' HD2' ' A' ' 29' ' ' LYS . 95.5 mt -103.49 -21.62 13.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -170.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.58 135.53 14.66 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HG3' HG23 ' A' ' 21' ' ' ILE . 32.4 tt0 -123.03 108.32 12.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.751 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 6.4 p -92.78 94.73 9.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.357 0.599 . . . . 0.0 109.927 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -97.82 118.06 33.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.765 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.63 112.04 23.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.15 0.5 . . . . 0.0 110.118 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 28.0 m -98.24 111.38 23.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.925 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 4.7 ttmp? -94.59 111.04 22.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 111.203 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.61 119.94 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.749 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -73.57 140.25 46.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.8 m-85 -59.61 -30.37 68.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 111.007 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.37 62.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.679 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -92.57 -31.45 15.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.577 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.6 tt -87.51 -25.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.05 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.8 38.28 14.29 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.299 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.13 131.59 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.736 0.303 . . . . 0.0 110.806 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 m -92.87 -34.12 13.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.307 0.575 . . . . 0.0 109.979 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -123.16 171.38 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.164 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -73.46 -26.56 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -68.67 -36.38 78.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.15 -46.15 89.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.192 0.52 . . . . 0.0 110.048 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HA ' HD13 ' A' ' 44' ' ' ILE . . . -58.67 -50.54 73.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.331 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -59.64 -44.73 93.4 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -57.49 -25.31 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 44' ' ' ILE . 2.6 m -99.25 -34.24 10.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.3 -27.43 22.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -173.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.3 mt-10 -56.74 -45.49 99.94 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 81.5 Cg_exo -43.13 -33.77 3.75 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.849 2.366 . . . . 0.0 113.333 170.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.49 -45.65 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.952 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 57' ' ' GLU . 62.3 p -67.81 -28.47 67.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 111.584 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.87 29.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.88 -2.57 58.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.87 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 75.9 m-85 -89.47 2.15 54.92 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -55.62 106.61 0.26 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.306 0.575 . . . . 0.0 111.966 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.19 43.06 21.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.567 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 22.2 mt -78.6 -35.07 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.547 0.689 . . . . 0.0 109.675 173.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.84 -154.22 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.74 2.8 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 168.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 85' ' ' THR . 18.8 m -81.77 108.84 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.736 0.779 . . . . 0.0 110.685 -173.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 22.2 tt0 -93.34 102.98 15.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.841 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.17 121.78 38.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.596 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 99.0 mttt -125.2 97.09 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.124 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.6 mt -82.92 98.7 9.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 172.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 108.99 19.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.085 -171.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.65 102.26 13.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -79.96 -51.96 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.413 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.17 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.721 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -101.9 -6.7 23.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.251 0.548 . . . . 0.0 110.997 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -142.01 145.95 35.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 111.034 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.74 120.44 41.99 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.496 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -97.93 110.21 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 32.8 tt0 -86.36 79.66 8.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 3.6 t-20 -82.16 102.97 11.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.498 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.435 HG11 ' CE2' ' A' ' 63' ' ' TYR . 32.2 t -111.57 130.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -175.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 14.6 m -110.58 103.48 12.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.002 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.97 107.33 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.572 0.225 . . . . 0.0 110.573 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.8 113.5 7.11 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.562 ' HA ' HG22 ' A' ' 91' ' ' VAL . 58.3 mtt -83.4 7.75 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.149 0.5 . . . . 0.0 110.594 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.2 mt-10 -78.52 -30.13 46.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.492 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -145.94 76.75 1.47 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.255 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 88' ' ' MET . 1.6 t -95.5 131.19 42.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.485 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -83.88 83.6 7.87 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 19.2 m-85 -61.72 -21.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.586 -174.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 94' ' ' LYS . 43.0 mtpt -73.64 -40.74 63.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.701 0.286 . . . . 0.0 110.454 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.86 -25.24 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 0.0 110.099 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.77 -27.24 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.11 -4.05 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.043 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.31 -21.44 51.84 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.713 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.017 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--O 1.236 0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.48 89.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.552 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -66.74 -39.05 87.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.791 0.329 . . . . 0.0 111.397 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.63 -30.25 64.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.3 114.33 3.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.44 124.23 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.519 0.676 . . . . 0.0 111.682 -174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.63 173.97 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.047 176.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.27 -40.28 90.03 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.29 -50.21 67.84 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.418 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.22 -64.64 0.87 Allowed 'General case' 0 C--O 1.201 -1.48 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.262 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.626 ' O ' ' HG2' ' A' ' 122' ' ' MET . 7.9 mmt -39.19 -53.12 1.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.454 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 16.2 mm-40 -60.05 -51.13 70.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.83 -26.51 59.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.337 0.589 . . . . 0.0 111.437 -177.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.8 -38.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.375 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.626 ' HG2' ' O ' ' A' ' 118' ' ' MET . 32.8 mmt -63.32 -41.88 98.95 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -64.31 -38.79 92.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.587 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.54 80.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.266 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.27 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.081 0.467 . . . . 0.0 110.874 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.18 38.48 4.55 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.79 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -83.88 147.07 27.73 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.479 ' HB2' ' HE3' ' A' ' 128' ' ' LYS . 34.7 ttmt -104.07 125.64 50.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.056 0.455 . . . . 0.0 110.879 -175.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.71 144.69 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.026 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.15 -34.34 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.743 -178.296 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 121.589 0.709 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 35.7 mt-10 -112.03 149.34 32.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.721 -171.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -130.81 121.14 24.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG3' ' HA ' ' A' ' 131' ' ' LYS . 40.6 ttmt -122.61 119.85 32.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.772 0.32 . . . . 0.0 110.275 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 ttpt -101.49 121.82 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.609 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 5.4 p90 -107.33 147.01 30.83 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.3 t -147.13 114.68 6.36 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.997 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.35 120.13 35.12 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.315 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 16.8 p-10 -89.59 103.71 16.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.704 0.764 . . . . 0.0 109.967 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD12 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -101.13 93.0 5.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.134 -174.764 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.9 t30 59.46 66.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.337 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 17.78 78.7 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 113.234 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -134.57 104.27 6.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.2 mt-10 -91.84 99.6 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.459 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.539 HG12 HG23 ' A' ' 37' ' ' THR . 39.7 mt -91.13 108.45 19.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.454 -0.499 . . . . 0.0 109.758 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.04 108.57 16.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.987 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.609 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.6 mt -101.74 110.93 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.4 m -97.42 89.49 4.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.99 176.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 18.0 p90 -91.47 126.6 36.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 111.277 -177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 56.1 t -89.89 121.1 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.263 174.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -129.8 154.62 47.05 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.35 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -134.34 104.17 6.03 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.37 -118.94 5.03 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.226 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -106.84 -1.77 22.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.567 0.698 . . . . 0.0 109.523 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.8 tmtm? -92.99 111.57 23.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.149 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.5 124.49 37.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.2 mt -102.41 -41.62 6.26 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -170.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.5 127.65 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -107.77 96.05 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.109 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 15.5 m -85.41 91.32 8.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.354 0.597 . . . . 0.0 109.877 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.498 ' HA ' HG12 ' A' ' 21' ' ' ILE . 34.6 t -97.37 101.05 12.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.838 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 37.3 mt-10 -101.31 108.59 20.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.945 0.402 . . . . 0.0 110.753 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 14.5 m -92.61 101.94 14.36 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 6.7 tppt? -82.07 101.61 10.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.82 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mt -102.31 115.61 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 -175.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.05 143.24 49.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.0 m-30 -64.48 -14.9 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.15 72.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.7 0.286 . . . . 0.0 111.422 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 m -85.28 -23.46 28.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.422 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 41' ' ' PHE . 11.8 tt -99.79 -25.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.006 0.432 . . . . 0.0 111.255 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.68 34.07 14.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.758 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -102.51 147.02 27.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -102.61 -38.9 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.514 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -138.16 -179.45 5.79 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.654 0.264 . . . . 0.0 110.661 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.7 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 7.4 ptpp? -60.6 -33.57 72.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.953 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.08 -36.54 77.73 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.323 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -55.61 -48.38 75.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.854 0.835 . . . . 0.0 109.32 175.226 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.79 95.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.046 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.46 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -55.94 -23.19 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.357 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.5 m -98.02 -49.68 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.774 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 mt -93.13 -9.84 38.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.39 -45.51 13.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 121.441 -0.787 . . . . 0.0 110.753 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -48.95 -31.94 21.68 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.163 1.909 . . . . 0.0 111.823 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -75.12 -46.64 33.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' OE2' ' A' ' 71' ' ' GLU . 3.9 p -66.62 -17.04 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.955 178.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' O ' ' HD2' ' A' ' 64' ' ' LYS . . . -72.0 1.02 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.824 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -88.73 -43.4 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 174.744 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 78.0 m-85 -90.95 3.19 55.31 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -174.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -59.38 105.5 0.35 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.045 0.926 . . . . 0.0 111.619 -171.809 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 50.3 65.16 1.52 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.782 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 30.1 mt -95.95 -77.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -121.85 -145.14 0.35 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.011 177.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . -75.94 48.96 2.44 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 171.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.13 101.63 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.56 0.695 . . . . 0.0 110.151 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.6 mt-10 -95.21 107.25 19.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.549 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HB3' ' A' ' 60' ' ' SER . 77.4 tt0 -110.47 129.27 55.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.04 0.447 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 51.0 tptt -132.4 106.65 8.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.81 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -91.88 99.69 12.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.775 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 68.0 p -101.78 108.95 20.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -119.87 120.65 37.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.566 0.698 . . . . 0.0 112.231 -176.343 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 m -100.28 161.81 13.36 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -77.44 58.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.334 0.587 . . . . 0.0 110.812 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 79' ' ' TYR . 5.2 t -171.58 -35.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.529 ' CD2' HG23 ' A' ' 78' ' ' THR . 44.0 p90 -153.05 153.15 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.305 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.47 127.63 54.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.187 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.584 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 33.4 tt0 -98.81 108.77 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.139 0.495 . . . . 0.0 109.904 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 20.4 tt0 -83.76 84.93 7.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.933 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 22.3 t-20 -81.02 101.59 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.037 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 34' ' ' SER . 22.7 t -107.67 147.37 12.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 23.6 m -143.0 106.54 4.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.1 mt -98.11 108.8 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.008 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 8.7 t70 -74.42 122.01 22.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.529 ' HA ' HG22 ' A' ' 91' ' ' VAL . 52.3 mtt -91.54 22.67 3.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.045 -173.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.91 -19.88 10.78 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.467 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -114.13 -12.15 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.57 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -61.67 137.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.5 104.23 14.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.903 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.53 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 8.9 m-85 -63.22 -13.92 43.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.115 -173.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -64.19 -38.33 90.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 0.0 110.639 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.57 -28.68 20.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 109.832 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 10.0 tp -58.83 -30.03 67.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.61 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -55.56 -38.04 68.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.548 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.62 -18.48 63.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 -176.045 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.73 64.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.82 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.21 -37.18 83.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.721 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -78.64 -53.33 7.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.16 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.81 115.03 1.6 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.453 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.9 118.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.762 0.792 . . . . 0.0 110.802 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.85 172.51 10.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.365 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.437 ' HE3' ' OE2' ' A' ' 119' ' ' GLU . 13.3 tpt -67.29 -43.62 81.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.331 -173.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.04 71.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.687 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.32 -64.01 1.1 Allowed 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.47 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 mmt -44.57 -41.07 6.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.437 ' OE2' ' HE3' ' A' ' 115' ' ' MET . 61.4 mm-40 -61.72 -57.94 9.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -76.43 -27.3 56.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.364 0.602 . . . . 0.0 111.304 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 t -72.54 -46.9 53.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.501 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.45 -26.48 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 175.773 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.28 -35.41 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.492 174.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.69 -37.92 67.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.24 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.37 32.47 7.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.505 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.69 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.1 m-85 -90.0 139.21 30.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 110.314 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -99.17 127.39 45.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 123.28 32.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.365 0.602 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.55 -16.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.059 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' A' ' 8' ' ' LYS . 44.8 mtpt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.21 145.53 51.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 -174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 t -96.74 129.14 44.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.126 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 8' ' ' LYS . 1.9 tppp? -113.73 99.21 7.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HG3' ' OG1' ' A' ' 22' ' ' THR . 46.1 tttp -95.5 108.74 21.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.586 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.762 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -115.6 152.34 33.27 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 173.331 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -148.34 130.17 15.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.81 113.05 16.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -82.49 104.87 13.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.85 174.18 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -76.67 54.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.164 0.506 . . . . 0.0 110.892 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.51 -54.88 0.22 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.867 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 HG12 ' A' ' 39' ' ' ILE . 8.2 p -115.28 146.04 41.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 111.768 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 7.0 mt-10 -105.35 102.22 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.528 HG12 HG23 ' A' ' 37' ' ' THR . 50.4 mt -98.34 118.58 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.988 0.423 . . . . 0.0 111.544 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.47 106.97 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.338 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.762 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 57.5 mt -108.78 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.715 0.769 . . . . 0.0 110.344 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HG3' ' A' ' 9' ' ' LYS . 7.2 m -103.9 94.52 5.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.314 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -103.7 128.0 51.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.409 0.624 . . . . 0.0 111.232 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.9 t -95.3 127.14 47.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.716 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 44.6 p90 -118.6 145.65 45.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.322 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -117.63 92.92 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.62 4.96 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.524 -176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -99.26 3.6 46.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.633 0.254 . . . . 0.0 111.255 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -121.72 133.34 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.242 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG3' ' A' ' 118' ' ' MET . 21.5 t -84.21 133.48 29.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 172.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -119.7 -20.07 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -171.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -146.94 117.06 7.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.995 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -108.51 106.85 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.433 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 7.1 m -89.09 102.78 15.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 33.2 t -106.83 103.32 12.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -112.59 104.29 12.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.28 0.562 . . . . 0.0 109.73 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.528 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -102.04 110.47 22.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 71.5 tttt -87.68 108.8 19.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.076 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 46.4 mt -100.45 122.9 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.3 147.88 37.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.9 m-30 -64.79 -23.84 67.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.86 88.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.812 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 p -84.55 -27.45 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.4 tt -83.05 -29.2 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.389 . . . . 0.0 110.826 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.16 32.68 8.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -114.46 148.29 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 m -105.59 -32.77 8.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -134.11 179.26 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 5.4 tmmm? -65.8 -35.46 80.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.66 -51.73 58.9 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.793 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.24 -41.24 90.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.01 92.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.607 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.23 76.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -62.82 -12.02 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.619 0.247 . . . . 0.0 111.577 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.3 m -99.26 -43.65 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 111.267 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.71 -33.83 17.4 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 71.5 mm-40 -55.5 -50.25 87.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -70.96 -11.84 29.82 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.931 1.754 . . . . 0.0 112.414 174.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 8.4 tt -84.17 -41.24 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 13.0 p -70.81 -26.96 63.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.278 0.561 . . . . 0.0 109.919 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -67.96 -9.91 49.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.278 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 59' ' ' LEU . 68.2 mttm -69.25 -30.99 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 110.219 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 37.8 m-85 -76.44 -57.94 3.57 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 6.1 mtmp? 65.26 -178.35 0.18 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.309 -174.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -86.53 71.59 10.39 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.456 0.646 . . . . 0.0 110.811 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.67 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.681 0.753 . . . . 0.0 110.079 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -143.34 -89.32 0.13 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.754 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . -119.47 33.42 4.67 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.873 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.7 m -91.37 98.9 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.238 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -94.41 121.21 35.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.276 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -108.7 93.99 4.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.09 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 23.7 tptm -106.96 114.52 28.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.085 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 mt -97.74 110.01 22.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -101.89 112.0 24.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.139 0.495 . . . . 0.0 110.702 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -95.33 103.06 14.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.561 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.16 59.32 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.143 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.3 t70 76.83 -57.6 0.53 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.556 169.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -114.75 -14.52 11.99 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.136 0.493 . . . . 0.0 111.317 -172.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -146.44 152.53 39.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.09 121.8 42.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.544 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 43.7 tt0 -103.97 123.24 46.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.19 91.34 7.69 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 9.9 m120 -78.82 89.8 4.66 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 35' ' ' SER . 39.4 t -104.54 130.88 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -173.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.3 m -122.04 112.46 18.28 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -107.57 98.08 6.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.683 0.277 . . . . 0.0 111.161 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.608 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.0 m-20 -70.75 111.01 5.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.124 0.488 . . . . 0.0 110.033 172.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 52.1 mtt -84.31 11.4 8.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.788 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.38 -13.27 58.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.935 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 38.4 ttmt -155.5 42.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -67.1 104.31 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.813 176.451 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -81.29 95.31 6.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 62.8 m-85 -69.36 -0.9 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.56 -176.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.62 -38.01 16.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.68 27.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.278 0.561 . . . . 0.0 109.695 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 7.4 tt -72.27 -7.2 48.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.678 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.89 -24.68 64.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.342 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.16 -1.69 78.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.177 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.478 HG13 ' HG ' ' A' ' 96' ' ' LEU . 10.8 pt . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 122.784 0.434 . . . . 0.0 109.873 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 111' ' ' LYS . 4.4 t70 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.97 0.414 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -67.57 -53.93 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -74.34 -4.64 37.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.617 0.722 . . . . 0.0 110.443 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 108' ' ' ASP . 59.4 tttt -82.77 -13.65 55.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.188 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.9 102.77 1.83 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 109' ' ' ALA . 48.6 mm -74.32 117.63 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.731 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 44.4 p -105.77 -178.46 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.988 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -42.92 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.99 69.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.791 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 8.3 mt-30 -65.02 -61.62 2.04 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.512 ' HG3' HG21 ' A' ' 30' ' ' VAL . 8.4 mmt -42.16 -48.52 4.82 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -57.65 -61.52 2.45 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.56 -24.49 61.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.733 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 5.0 t -80.67 -40.44 19.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.928 -177.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.49 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -66.15 -35.26 79.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.319 0.581 . . . . 0.0 109.773 172.554 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.39 -31.0 65.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.848 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.23 -17.78 38.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.648 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 78.15 49.66 6.76 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.94 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 37.8 m-85 -78.75 177.54 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.987 0.423 . . . . 0.0 111.122 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -115.11 123.06 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.8 127.52 33.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.13 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.8 t -88.59 -44.8 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.648 175.463 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.17 -57.37 4.63 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 59.57 91.95 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.638 0.775 . . . . 0.0 111.223 172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 51.2 pttt -73.88 117.92 16.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.319 0.581 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 4.5 pt-20 -89.71 111.02 21.88 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 169.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -104.63 145.23 30.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 -164.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m -96.13 126.25 41.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.522 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 71.7 mmtt -112.92 114.48 26.99 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 131' ' ' LYS . 58.0 tttp -116.6 116.0 26.77 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.481 -171.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.645 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 13.1 p90 -109.54 160.8 15.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' ALA . 31.9 t -145.58 107.75 4.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.22 115.68 30.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.496 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -92.21 97.68 11.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -142.81 146.78 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.459 -174.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 66.93 1.75 2.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.094 0.473 . . . . 0.0 112.025 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 -3.39 57.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.303 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 39' ' ' ILE . 3.6 p -108.07 128.83 55.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.535 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.0 mt-10 -94.38 94.58 8.35 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.56 HG12 HG23 ' A' ' 37' ' ' THR . 61.7 mt -93.9 107.09 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.928 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -118.8 107.02 13.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.168 0.509 . . . . 0.0 109.97 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 63.4 mt -96.73 116.84 39.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.794 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 9' ' ' LYS . 2.1 m -98.9 89.42 4.3 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.477 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.503 ' CE2' ' HG2' ' A' ' 118' ' ' MET . 28.7 p90 -96.61 124.35 40.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.486 0.66 . . . . 0.0 111.009 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 123.23 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.124 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -117.02 150.61 38.33 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.724 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 72.5 tttt -132.29 113.29 13.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.8 -115.96 4.15 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.889 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.15 3.74 13.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.03 0.443 . . . . 0.0 110.332 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.566 ' HD3' HD21 ' A' ' 31' ' ' LEU . 50.3 tttm -111.78 130.03 55.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.67 135.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD21 ' HD3' ' A' ' 29' ' ' LYS . 96.3 mt -120.58 -30.48 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -172.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.37 124.61 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.878 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 50.6 tt0 -108.36 99.83 9.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.607 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 32.3 t -85.51 96.03 9.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG12 ' A' ' 21' ' ' ILE . 19.3 m -97.44 92.91 6.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.376 0.607 . . . . 0.0 109.506 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.7 107.26 19.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.854 -174.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG12 ' A' ' 19' ' ' ILE . 60.3 m -107.2 108.74 20.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.222 -176.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 81.9 tttt -86.32 98.87 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.284 0.564 . . . . 0.0 110.295 177.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.476 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -88.9 134.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.97 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -97.35 148.19 23.41 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.514 ' HA ' HG22 ' A' ' 44' ' ' ILE . 7.3 m-85 -71.71 174.43 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.39 -57.2 0.58 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.591 0.557 . . . . 0.0 110.951 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -62.86 -37.03 85.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 111.046 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 46' ' ' ALA . 6.9 tt -73.23 -17.79 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.282 0.563 . . . . 0.0 110.636 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -1.62 60.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.75 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.754 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -99.63 133.67 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.245 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -101.08 -19.89 15.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.965 0.412 . . . . 0.0 110.521 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.591 HG23 ' H ' ' A' ' 51' ' ' ASP . 8.3 t -133.04 158.17 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.343 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 21.6 pttp -63.48 -29.53 70.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.411 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.94 -52.43 63.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.352 0.596 . . . . 0.0 110.245 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' H ' HG23 ' A' ' 48' ' ' THR . 16.3 t70 -64.19 -32.31 73.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.19 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.887 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -61.99 -39.79 93.41 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.252 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.13 -17.28 57.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.187 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -97.05 -35.15 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -83.8 -44.1 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.585 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 49.3 mt-10 -48.88 -54.55 26.84 Favored Pre-proline 0 N--CA 1.467 0.416 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 86.6 Cg_exo -43.83 -39.55 10.69 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.899 2.4 . . . . 0.0 113.502 175.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.0 -46.95 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.284 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -64.89 -27.79 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.093 0.473 . . . . 0.0 110.677 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.07 -8.48 56.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.998 ' HB3' HD12 ' A' ' 99' ' ' ILE . 79.6 mttt -69.03 -34.31 75.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.548 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.638 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.1 m-85 -66.47 -48.45 69.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 49.05 -93.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.082 0.864 . . . . 0.0 112.659 168.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -147.71 42.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 0.0 110.195 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 99' ' ' ILE . 58.6 mt -57.66 -43.24 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.684 0.754 . . . . 0.0 109.848 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -164.14 -149.59 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.212 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.06 54.1 3.05 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.433 -0.889 . . . . 0.0 110.947 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.2 m -96.07 102.77 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.455 0.645 . . . . 0.0 111.112 -175.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.749 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 36.3 mm-40 -93.68 130.84 39.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.464 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.2 101.9 8.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.191 0.52 . . . . 0.0 111.169 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.749 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.2 mptp? -104.9 97.94 7.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.063 -0.398 . . . . 0.0 110.999 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.37 98.99 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.95 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 72.9 p -101.74 109.16 20.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 13.5 p90 -143.35 131.94 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.351 0.596 . . . . 0.0 111.468 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -101.84 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.713 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -171.47 -33.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.563 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.4 m -87.46 -34.76 18.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 111.459 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -148.2 159.77 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.339 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.06 110.77 13.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.606 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -98.13 107.21 19.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -177.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.68 92.89 9.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 40.6 t-20 -79.76 106.57 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' A' ' 35' ' ' SER . 53.6 t -103.61 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.272 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 34.5 m -135.35 101.78 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.957 0.408 . . . . 0.0 109.997 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 68.2 mt -95.26 114.65 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.326 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.5 t70 -83.74 119.79 25.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.55 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.408 ' HE1' HG13 ' A' ' 113' ' ' ILE . 51.3 mtt -91.9 21.37 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.929 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -109.86 1.95 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.271 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -147.45 15.52 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.252 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -65.13 134.62 29.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.025 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -101.77 108.92 20.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.768 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.539 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 61.3 m-85 -80.79 -8.91 59.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.508 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.03 -57.97 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.64 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 99' ' ' ILE . . . -71.95 -35.49 69.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.038 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.86 -31.3 59.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.774 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 27.2 mm-40 -64.64 -20.68 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.37 5.59 33.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.955 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.998 HD12 ' HB3' ' A' ' 62' ' ' LYS . 32.3 mm -106.63 -80.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.085 0.469 . . . . 0.0 110.387 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 m -88.63 -26.16 22.04 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.989 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.44 -71.03 2.34 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.553 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.2 mt 56.16 39.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.126 0.965 . . . . 0.0 109.317 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -79.72 31.83 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.274 -174.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.63 -42.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.9 t -141.08 120.79 13.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.063 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.87 68.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.05 -33.96 74.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.0 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.556 ' HA ' ' NE2' ' A' ' 117' ' ' GLN . 20.2 t0 -77.93 -56.16 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.837 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.54 71.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -173.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.81 -36.71 17.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -92.12 -10.19 39.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.539 ' HA2' ' CZ ' ' A' ' 93' ' ' PHE . . . 112.02 121.01 3.93 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.501 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.408 HG13 ' HE1' ' A' ' 88' ' ' MET . 16.8 mm -62.54 121.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.158 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -115.81 155.46 27.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.41 -41.93 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 118.07 0.396 . . . . 0.0 111.126 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.9 79.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.235 0.541 . . . . 0.0 110.506 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' A' ' 108' ' ' ASP . 13.2 mt-30 -68.67 -67.25 0.48 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.674 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.503 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -43.18 -44.9 5.36 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.456 . . . . 0.0 112.139 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 2.4 mm-40 -59.15 -65.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.82 -30.21 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.395 0.617 . . . . 0.0 111.404 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 t -79.29 -38.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.449 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 18.2 mmt -74.63 -29.74 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.633 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.1 mptt -69.21 -36.18 76.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 172.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.66 -29.9 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.656 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.32 -13.32 61.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.155 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.4 27.22 64.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.58 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -92.76 153.33 18.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.647 0.26 . . . . 0.0 110.337 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -103.34 122.13 44.18 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 110.478 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 6.8 pt-20 -82.15 137.52 34.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.1 0.85 10.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.492 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 49.4 mttp 61.0 -89.99 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.627 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 131' ' ' LYS . 40.3 mt -155.97 14.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 166.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.83 136.6 50.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.979 -169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -121.75 -17.09 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.063 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -97.89 26.22 5.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.708 0.766 . . . . 0.0 109.307 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -66.13 -25.06 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.771 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -79.47 93.01 5.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.033 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.13 -57.12 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.818 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.244 0.781 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.581 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.72 44.46 2.96 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.647 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -132.31 -34.74 1.21 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.102 0.477 . . . . 0.0 109.885 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -89.43 -20.23 24.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 179.86 142.84 0.15 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.85 151.32 37.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.2 p -137.27 135.89 37.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 0.0 111.165 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.917 ' HE2' ' HG2' ' A' ' 129' ' ' GLU . 14.2 tttt -134.14 98.06 4.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.068 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.1 ttmm -89.17 118.01 28.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.771 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.5 p90 -105.12 144.95 31.21 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.62 ' OG ' HG21 ' A' ' 130' ' ' VAL . 22.5 p -135.48 116.77 14.56 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.907 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.64 128.19 32.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 111.703 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 18.7 t-20 -88.11 99.81 12.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 84.85 4.65 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.297 177.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 74.56 -56.47 0.64 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.241 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.6 -34.65 0.12 Allowed Glycine 0 C--N 1.312 -0.799 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.768 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 123.69 39.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.633 0.254 . . . . 0.0 111.129 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 1.9 mt-10 -97.24 96.51 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.471 HG12 HG23 ' A' ' 37' ' ' THR . 57.9 mt -93.07 121.33 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.197 0.523 . . . . 0.0 110.891 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -116.55 103.63 10.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.262 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -101.17 124.41 54.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.155 0.502 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.2 m -108.56 105.85 15.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.963 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 7' ' ' SER . 50.3 m-85 -83.29 105.79 14.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.618 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -92.1 98.4 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.67 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 28.4 p90 -125.69 162.4 25.11 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.029 -172.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -141.31 116.91 10.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.8 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.3 -116.06 4.15 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -171.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -115.21 -12.24 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.761 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -93.99 123.06 37.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.048 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.67 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 19.2 t -74.44 124.23 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 169.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.7 -36.18 9.21 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.319 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -134.91 116.94 15.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 0.0 109.848 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -110.63 111.2 22.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.809 -176.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 34.7 t -92.06 94.32 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 9.2 m -97.35 101.86 13.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 22.8 mt-10 -108.1 107.54 18.24 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.386 -171.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 11.0 m -87.18 107.94 18.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.142 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HG2' ' NE2' ' A' ' 40' ' ' GLN . 51.6 tttm -82.73 93.83 7.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.604 0.716 . . . . 0.0 109.83 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.6 mt -90.17 119.37 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.341 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.568 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 20.7 mm-40 -88.5 154.6 20.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -61.43 -31.31 71.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.632 0.253 . . . . 0.0 111.543 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.01 -18.67 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.874 0.369 . . . . 0.0 110.984 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -83.16 -37.51 23.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.986 0.422 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 tt -87.25 -32.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.151 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.32 33.8 8.48 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.723 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -104.09 144.95 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.188 . . . . 0.0 110.626 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.35 -50.27 7.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.343 0.592 . . . . 0.0 110.391 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.2 p -127.89 176.0 7.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.01 -20.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.95 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.46 -51.42 63.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 9.1 m-20 -59.93 -41.25 91.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.333 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.93 51.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.324 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.474 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.4 -44.54 96.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.16 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -61.64 -17.3 54.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 m -95.73 -36.76 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.249 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.01 -36.38 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 33.1 mt-10 -51.84 -45.71 92.25 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 80.4 Cg_exo -41.38 -40.82 4.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.22 2.613 . . . . 0.0 114.08 172.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.33 -41.26 73.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.628 0.251 . . . . 0.0 111.24 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -60.99 -20.59 62.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 111.603 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.36 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.776 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.8 -34.45 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.938 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 95.0 m-85 -75.83 -20.74 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.492 -170.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 71.4 mmtt -78.63 22.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.082 0.468 . . . . 0.0 111.757 -175.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -135.19 5.99 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.437 0.637 . . . . 0.0 109.308 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 ' CB ' ' A' ' 92' ' ' ASP . 73.3 mt -126.02 93.56 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.177 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HD3' ' A' ' 90' ' ' LYS . . . 47.9 -146.06 0.28 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.672 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.89 29.5 7.94 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 t -85.44 111.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.95 143.33 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.066 0.46 . . . . 0.0 111.406 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 84' ' ' VAL . 40.9 tt0 -107.43 107.21 17.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.272 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -100.15 107.6 19.52 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.639 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 85.6 mt -84.44 124.75 31.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.1 p -119.53 121.04 38.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.447 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 44.3 m-85 -114.06 128.85 56.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 -175.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 m -108.59 -79.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.63 -67.7 0.25 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -100.56 0.55 39.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.572 . . . . 0.0 110.998 -174.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -149.96 157.14 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.64 130.87 38.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.603 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 23.3 mt-30 -99.33 119.3 37.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.367 0.603 . . . . 0.0 110.94 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 25.0 tt0 -85.8 88.33 7.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.264 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 5.2 t30 -84.13 95.63 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.258 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.519 HG22 ' HG3' ' A' ' 71' ' ' GLU . 48.9 t -96.57 101.56 12.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.142 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.0 m -91.17 106.07 18.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.573 ' HA ' HG13 ' A' ' 69' ' ' VAL . 43.8 mt -99.39 124.2 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 -178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 11.3 t70 -91.37 113.99 26.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.538 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.8 mmt -90.2 6.41 42.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.498 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 25.5 mm-40 -84.29 -2.41 56.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.254 0.55 . . . . 0.0 109.715 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HD3' ' HB2' ' A' ' 67' ' ' ALA . 56.9 tttt -150.58 -62.05 0.19 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.271 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER 51.77 -167.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.319 -166.219 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 91' ' ' VAL . 14.6 t70 -144.47 95.16 2.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 159.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -69.78 -10.21 57.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.217 -170.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -86.24 -51.61 6.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.84 -10.97 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 110.454 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 18.4 tp -61.42 -17.56 54.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.676 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -62.66 -23.23 66.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.27 55.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.144 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.2 pt -133.35 15.95 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.958 0.409 . . . . 0.0 111.363 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -81.36 90.13 6.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.401 0.619 . . . . 0.0 111.218 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.01 14.12 57.91 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.161 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mt -76.11 100.4 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -82.99 54.16 2.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.587 0.708 . . . . 0.0 110.96 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.88 -72.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.3 p -156.65 120.39 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.404 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 110' ' ' LYS . . . -71.88 -3.68 23.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.516 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.3 -32.19 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.038 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.22 -41.26 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.68 0.752 . . . . 0.0 109.363 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.5 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.511 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 44.1 mmtm -96.59 -33.91 11.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.338 0.589 . . . . 0.0 110.47 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.2 -30.75 34.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.747 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 142.08 108.01 0.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.152 -1.023 . . . . 0.0 112.732 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 109' ' ' ALA . 46.0 mm -76.0 112.77 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.001 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.3 p -127.94 179.05 5.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.4 tpt -71.69 -39.37 70.27 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.664 -0.415 . . . . 0.0 109.976 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.12 73.91 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.027 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -66.51 0.5 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.479 174.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.466 ' O ' ' HB2' ' A' ' 122' ' ' MET . 23.1 mmt -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.36 -66.38 0.47 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.648 0.261 . . . . 0.0 111.352 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.14 -35.37 80.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.263 0.554 . . . . 0.0 111.215 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.5 t -70.7 -44.32 76.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.514 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.668 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -76.08 -30.48 58.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.686 0.279 . . . . 0.0 111.276 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.89 -19.55 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.64 47.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.203 0.525 . . . . 0.0 110.082 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.51 -17.95 57.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.55 38.83 6.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.414 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.668 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.9 m-85 -101.69 159.23 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -125.28 136.79 53.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.917 ' HG2' ' HE2' ' A' ' 8' ' ' LYS . 2.8 mp0 -69.66 139.22 53.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.578 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.62 HG21 ' OG ' ' A' ' 11' ' ' SER . 45.3 t -118.26 -23.79 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.407 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 51.5 mmtt 69.41 -171.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.325 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.68 105.89 15.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.27 0.557 . . . . 0.0 110.901 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.38 -26.37 42.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.438 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -86.28 45.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.598 -172.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 66.53 -83.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.894 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -148.59 162.15 40.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -142.46 28.12 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.108 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.42 -65.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.2 m80 . . . . . 0 C--O 1.242 0.691 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.747 174.199 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.87 79.46 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.309 -175.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -113.38 -34.39 5.63 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.956 0.502 . . . . 0.0 110.607 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 60.2 mttm -78.95 -54.44 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.273 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 35.0 tt0 -137.71 150.29 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.503 -176.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -146.02 141.29 27.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.2 m -116.42 129.8 56.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.373 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 11.1 mmtp -113.19 95.14 5.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.432 175.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 65.6 tttt -90.4 124.17 34.72 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.0 p90 -121.69 157.38 31.02 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB2' HG21 ' A' ' 130' ' ' VAL . 6.8 m -147.66 115.07 6.29 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.538 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 124.81 35.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.99 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 43.0 t-20 -92.65 108.38 19.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.12 43.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 110.787 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 77.13 -56.42 0.53 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.018 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.8 -37.28 9.52 Favored Glycine 0 C--N 1.313 -0.708 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.826 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 HG12 ' A' ' 39' ' ' ILE . 6.5 p -136.57 139.56 42.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.776 0.322 . . . . 0.0 111.278 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 2.8 mt-10 -102.47 97.37 7.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 37' ' ' THR . 54.0 mt -95.63 115.26 34.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.012 0.434 . . . . 0.0 111.128 -172.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.11 111.56 18.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.86 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 35' ' ' SER . 57.9 mt -113.36 128.78 70.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.029 -175.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.471 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 26.1 m -99.67 103.47 15.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 174.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB2' ' HB2' ' A' ' 8' ' ' LYS . 84.8 m-85 -82.82 102.34 11.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.645 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.41 98.57 8.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB3' HG22 ' A' ' 30' ' ' VAL . 45.9 p90 -109.55 144.14 38.24 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.482 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 32.1 ttmt -143.36 116.45 8.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.388 -173.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.23 4.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.058 -1.067 . . . . 0.0 110.537 -168.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -108.61 -30.61 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 110.684 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HD2' HD23 ' A' ' 31' ' ' LEU . 25.8 ttmt -90.07 145.96 24.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.268 -172.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 25' ' ' TYR . 39.3 t -80.12 94.28 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 167.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HD2' ' A' ' 29' ' ' LYS . 67.6 mt -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -168.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -135.94 118.31 15.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.319 0.581 . . . . 0.0 110.618 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.41 103.87 13.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 26.1 m -87.72 90.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.045 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.561 ' HA ' HG12 ' A' ' 21' ' ' ILE . 5.8 m -97.6 97.51 9.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.264 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.06 109.27 21.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.128 0.489 . . . . 0.0 110.244 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 19' ' ' ILE . 85.8 m -95.51 110.44 22.51 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.446 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 28.4 tttm -82.4 104.05 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 109.752 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 17' ' ' THR . 56.2 mt -99.53 127.56 52.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.391 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -85.49 149.73 25.19 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.6 m-30 -64.92 -15.1 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.44 60.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.682 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -94.05 -30.79 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.548 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.1 tt -79.93 -30.48 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.53 36.7 13.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.981 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.01 146.77 33.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.49 -44.98 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.353 . . . . 0.0 111.525 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -128.41 175.56 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.216 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.68 -20.73 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.047 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.07 -48.52 73.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.48 -42.37 87.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.018 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.52 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.162 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.999 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -66.3 -13.01 59.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.4 m -99.39 -48.11 4.91 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 98.8 mt -93.38 -36.31 12.57 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -166.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 31.5 mt-10 -47.37 -50.14 50.23 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 14.9 Cg_endo -60.58 -12.78 22.47 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.228 1.952 . . . . 0.0 113.627 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.19 -42.39 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.755 0.312 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 m -61.31 -22.18 64.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.852 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -24.73 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.544 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -64.96 -27.42 68.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 111.009 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.623 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 58.1 m-85 -69.85 -33.93 72.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.248 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -77.58 12.66 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.072 0.463 . . . . 0.0 111.399 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -108.04 -8.75 15.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.445 0.64 . . . . 0.0 109.458 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -98.19 -71.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.576 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -169.25 -146.12 0.06 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.906 -174.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.18 13.53 3.43 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' TYR . 2.8 t -82.04 104.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -132.32 158.22 42.45 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.254 0.55 . . . . 0.0 111.474 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HG3' HG22 ' A' ' 84' ' ' VAL . 39.4 tt0 -125.67 130.93 52.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.054 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -120.58 112.62 19.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.152 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.66 102.27 14.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.929 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 25.6 p -101.73 121.14 41.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.213 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -106.73 137.5 44.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.663 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -104.47 -83.8 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.0 -59.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -92.0 -17.56 24.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.659 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -145.53 164.11 32.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.051 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.31 48.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 72.9 mt-30 -99.57 113.62 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.39 85.58 6.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.92 102.95 8.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.083 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG22 ' HG3' ' A' ' 71' ' ' GLU . 50.4 t -106.99 106.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.235 -176.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.7 m -97.83 104.58 16.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.274 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' HG13 ' A' ' 69' ' ' VAL . 46.9 mt -97.79 122.83 49.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.74 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' ' 91' ' ' VAL . 23.3 t70 -98.31 115.39 28.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.4 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.3 mmt -93.83 13.13 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.292 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 5.3 mm-40 -89.68 -3.75 58.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.5 0.667 . . . . 0.0 109.505 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 84.9 tttt -143.3 -66.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.619 175.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 39.38 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.249 1.02 . . . . 0.0 113.524 -174.296 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 21.0 t70 -159.95 101.17 1.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.623 167.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -71.83 -3.64 23.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.83 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -85.73 -58.78 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.62 62.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.591 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 8.5 tp -55.8 -33.23 64.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.215 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.78 -36.3 47.05 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.769 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.14 86.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.542 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 96' ' ' LEU . 2.4 pp -138.4 22.12 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.165 0.482 . . . . 0.0 112.248 -177.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.4 m -76.46 103.29 6.39 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.337 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.5 -12.01 80.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.287 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.413 HD13 ' HE3' ' A' ' 118' ' ' MET . 4.7 mt -81.4 58.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 109.974 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -83.51 71.04 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.636 0.731 . . . . 0.0 110.916 -175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -107.76 -41.09 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 170.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.7 p -164.85 120.29 1.4 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.007 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.27 65.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.258 0.551 . . . . 0.0 111.098 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -76.73 -25.85 53.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.382 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.586 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 9.2 t70 -69.47 -37.96 77.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 0.0 110.376 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -66.73 -15.53 63.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.099 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -87.63 -16.04 35.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.376 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' A' ' 108' ' ' ASP . 80.8 mttt -78.04 -39.83 40.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.365 0.602 . . . . 0.0 110.314 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 104.52 1.55 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 109' ' ' ALA . 45.1 mm -75.08 105.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.548 0.69 . . . . 0.0 111.846 -172.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 43.1 p -117.38 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.834 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.29 -35.22 61.33 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.32 -44.95 72.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.302 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.6 mp0 -58.95 -66.19 0.54 Allowed 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 176.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 122' ' ' MET . 25.9 mmt -50.27 -43.35 53.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.52 -60.42 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 111.452 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.56 -35.74 77.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.219 0.533 . . . . 0.0 111.201 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.7 t -73.17 -43.46 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.933 -174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.71 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -72.3 -31.64 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.743 0.306 . . . . 0.0 111.082 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.52 -16.12 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.85 48.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.116 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.58 -19.79 30.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.6 28.05 9.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.645 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.71 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 22.6 m-85 -86.38 148.71 25.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -120.43 142.59 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -61.76 159.13 14.2 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.855 0.836 . . . . 0.0 112.209 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 11' ' ' SER . 41.7 t -139.84 -44.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.402 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' CA ' ' HB3' ' A' ' 9' ' ' LYS . 52.1 mttt 61.19 -177.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.77 -175.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.561 ' HG ' ' HD2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -109.51 89.26 2.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.419 -173.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -87.72 -23.67 24.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.193 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -85.71 83.77 7.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.833 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 68.13 165.58 0.24 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.415 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -86.69 154.51 20.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.498 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -134.64 -81.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.187 -173.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -69.97 -31.46 69.19 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.61 0.719 . . . . 0.0 109.836 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.8 m80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.277 -1.344 . . . . 0.0 107.89 176.789 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.967 0.413 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.33 -43.9 1.94 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -169.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.95 153.08 38.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 170.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 96.9 mttt -87.38 86.07 7.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.129 0.49 . . . . 0.0 111.986 -173.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.44 110.71 19.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.487 171.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -98.32 125.16 43.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.503 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 p -101.17 139.01 37.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.11 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' THR . 16.4 mmtp -136.06 111.23 8.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 172.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD2' HD12 ' A' ' 132' ' ' LEU . 35.1 tttp -110.13 115.72 30.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.248 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.0 p90 -116.04 165.05 13.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 32.2 t -156.4 119.27 4.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.143 0.497 . . . . 0.0 110.57 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.31 110.33 21.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.026 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.28 89.03 7.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.508 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.2 pp -134.32 147.27 50.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.041 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t30 71.35 -14.2 0.49 Allowed 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.533 0.521 . . . . 0.0 112.234 173.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 110.06 6.34 28.05 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -172.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 HG13 ' A' ' 39' ' ' ILE . 5.3 p -115.95 121.37 42.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.553 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.6 mt-10 -88.34 98.55 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 11' ' ' SER . 57.0 mt -92.41 92.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.04 0.447 . . . . 0.0 110.21 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.57 115.73 31.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.518 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.684 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.3 mt -118.3 126.41 75.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.25 -176.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 6.3 m -115.66 96.59 5.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.697 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.802 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 14.5 p90 -92.41 130.36 38.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.266 0.555 . . . . 0.0 110.637 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.95 126.72 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.766 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.8 p90 -132.97 156.22 47.7 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.773 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 57.0 mttp -118.03 99.05 6.65 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 171.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.45 -116.13 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.446 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.703 ' HA ' ' HB2' ' A' ' 115' ' ' MET . 32.4 t70 -99.55 -2.09 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -98.33 101.97 13.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.692 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 14.5 t -78.34 115.95 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.55 -31.77 13.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 13.7 ptpt -160.58 164.13 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.802 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 25.7 tt0 -144.34 112.14 6.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.222 -171.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -85.69 100.42 11.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 m -110.55 104.45 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -110.17 108.12 18.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.936 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 19' ' ' ILE . 65.4 m -92.75 115.4 28.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.1 ttmt -96.92 110.06 22.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 17' ' ' THR . 4.6 mp -95.52 120.38 44.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.343 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 29.8 mm-40 -73.16 147.65 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -62.46 -29.64 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.956 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.27 -13.29 59.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.405 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -85.94 -37.12 19.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.219 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 tt -90.86 -29.31 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.802 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.85 34.26 11.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.688 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.56 172.01 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.359 . . . . 0.0 110.602 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -119.14 -53.31 2.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -118.03 176.29 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.269 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -67.79 -23.45 65.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.913 0.387 . . . . 0.0 110.008 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.2 mm-40 -67.84 -59.25 3.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.801 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.51 -16.0 61.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.07 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.216 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.15 86.52 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.619 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 64.0 mttm -66.36 -8.27 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.729 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -98.18 -34.36 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.654 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.58 -25.48 24.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.019 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 23.5 mm-40 -48.28 -54.39 25.89 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.473 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.0 Cg_endo -67.08 -19.03 51.77 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.017 1.811 . . . . 0.0 112.861 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.32 -48.78 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 m -64.09 -29.36 70.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.361 0.6 . . . . 0.0 110.242 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -69.21 2.24 3.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.159 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 99' ' ' ILE . 67.5 mttm -75.55 -31.0 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.044 -0.41 . . . . 0.0 110.631 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.644 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.7 m-85 -75.32 -56.74 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 31.6 mtmt 65.16 -93.07 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.742 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -149.38 40.14 0.84 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.276 0.56 . . . . 0.0 109.835 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 63' ' ' TYR . 68.0 mt -53.49 -42.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.629 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -168.8 -145.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.055 -174.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.48 45.36 2.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.874 171.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.1 m -93.91 111.37 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.316 0.579 . . . . 0.0 110.327 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.01 109.53 21.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.911 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.04 97.82 10.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.072 0.939 . . . . 0.0 109.621 175.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 66.3 mttm -101.8 104.85 15.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.861 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.95 106.19 16.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.493 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 2.5 p -106.69 125.97 51.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -112.54 117.06 31.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.012 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -85.82 -65.92 0.96 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.437 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 t70 178.09 -53.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.43 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.3 m -93.01 -11.84 32.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.381 0.61 . . . . 0.0 111.259 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -152.6 161.79 42.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 111.343 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.42 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.053 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 41.7 mt-30 -104.6 111.67 24.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.77 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.22 90.36 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 49.5 t-20 -82.88 101.02 10.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.77 105.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.413 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.6 m -93.61 103.31 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.06 141.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -175.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.642 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 13.7 t70 -110.97 127.54 55.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.74 -3.03 59.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.501 -171.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.59 -45.9 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.98 0.419 . . . . 0.0 111.008 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -102.27 1.32 35.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 5.8 p -71.88 156.86 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.132 0.491 . . . . 0.0 111.041 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 24.9 t70 -123.24 117.86 26.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.39 -19.53 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.933 0.396 . . . . 0.0 111.055 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 6.1 ttpm? -65.02 -36.28 83.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.779 173.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.37 -24.32 59.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.674 HD23 HD12 ' A' ' 99' ' ' ILE . 71.6 mt -83.58 0.53 46.29 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.415 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -52.66 -51.92 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.023 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.11 17.68 58.84 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.749 HG12 ' HB3' ' A' ' 62' ' ' LYS . 54.9 mt -111.94 -40.44 3.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.493 . . . . 0.0 110.903 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -72.51 91.87 1.43 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.718 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.72 0.7 89.25 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 173.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.21 129.67 29.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.034 -0.583 . . . . 0.0 110.131 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -75.81 96.52 3.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 105' ' ' SER . 9.2 p -129.8 170.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 -169.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.507 ' H ' HG22 ' A' ' 104' ' ' VAL . 26.8 t -82.11 150.18 27.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.271 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.75 80.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.207 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.36 10.31 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.0 110.972 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.641 ' OD2' ' HB3' ' A' ' 117' ' ' GLN . 11.0 t70 -91.53 -64.53 1.11 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.148 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.11 -33.34 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.877 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.69 -33.98 71.49 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -99.19 -22.79 15.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 133.44 132.53 3.27 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.293 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.54 109.76 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.9 p -114.3 -179.47 3.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.812 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.703 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -66.61 -41.64 88.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.104 -177.361 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.87 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.452 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.641 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 0.7 OUTLIER -57.35 -63.59 1.17 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.381 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 122' ' ' MET . 29.8 tpp -47.06 -45.99 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.623 0.577 . . . . 0.0 112.368 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 20.3 mm-40 -62.36 -62.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.33 . . . . 0.0 111.768 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.38 -34.31 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.185 0.517 . . . . 0.0 111.231 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.1 t -76.59 -41.53 34.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.162 -175.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.529 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.76 -33.64 71.0 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.988 -0.445 . . . . 0.0 111.212 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 13.5 mptt -73.51 -25.06 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.103 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.03 67.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.377 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.85 76.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.152 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 106.33 33.41 3.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.835 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.529 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 25.4 m-85 -92.03 128.01 37.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -102.31 139.24 38.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.353 . . . . 0.0 110.25 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 51.3 mt-10 -82.23 148.69 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.381 0.61 . . . . 0.0 112.027 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.5 t -93.99 -24.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 69.31 97.11 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.349 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.528 HD12 ' HD2' ' A' ' 9' ' ' LYS . 5.5 tt -102.11 102.85 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.739 -177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.46 -100.73 0.28 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -153.64 -71.72 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 178.06 13.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.009 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.9 t60 49.42 81.35 0.06 Allowed 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.512 1.125 . . . . 0.0 112.968 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.71 86.61 7.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -77.95 -31.05 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.31 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.662 -0.685 . . . . 0.0 109.513 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.878 0.371 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.41 123.16 1.57 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.841 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.1 -41.11 74.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -118.44 147.28 43.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.827 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -97.03 178.74 5.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 mp0 -102.92 130.79 50.1 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.325 -171.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -121.46 116.92 25.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.009 0.433 . . . . 0.0 111.011 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HG2' ' HE1' ' A' ' 25' ' ' TYR . 19.7 mmtp -114.45 101.51 9.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.051 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -99.31 113.12 25.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.601 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 5.2 p90 -112.84 161.22 17.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -155.65 124.81 6.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.046 0.45 . . . . 0.0 110.39 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.79 141.83 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.908 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -98.7 98.29 9.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 pp -133.75 142.5 47.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.523 -176.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 t30 63.76 16.97 10.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.578 0.704 . . . . 0.0 110.074 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.22 5.04 89.34 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.271 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.7 p -114.06 138.31 50.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.747 0.308 . . . . 0.0 111.296 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' OE2' ' HD2' ' A' ' 38' ' ' LYS . 4.8 mt-10 -93.44 97.59 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.534 HG12 HG23 ' A' ' 37' ' ' THR . 23.1 mt -93.32 106.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 121.144 0.497 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -114.63 110.77 20.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.003 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 65.0 mt -108.55 124.96 65.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.153 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -101.19 101.72 12.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.861 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -82.07 109.64 16.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 50.8 t -93.71 104.49 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 38.3 p90 -124.34 164.22 20.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.5 115.71 12.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.759 175.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.53 -115.91 5.23 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 110.622 -172.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -113.67 7.55 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.527 0.679 . . . . 0.0 109.363 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -98.29 107.94 20.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.312 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 20.1 t -76.9 113.61 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.0 -39.33 11.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.328 -172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 67.4 mttm -132.18 122.97 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.029 0.443 . . . . 0.0 110.799 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -107.55 96.05 6.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.473 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 50.9 m -85.52 97.76 10.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 109.874 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 16.6 m -97.38 100.32 11.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.048 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.9 mt-10 -98.74 108.67 21.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.198 0.523 . . . . 0.0 110.323 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 19' ' ' ILE . 24.2 m -99.38 104.72 16.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.618 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HD2' ' OE2' ' A' ' 18' ' ' GLU . 33.4 ttmt -87.29 106.02 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -104.55 110.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.001 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.16 151.92 46.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.966 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -66.42 -29.84 70.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -20.03 61.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -88.79 -33.97 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 tt -84.66 -31.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.9 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.54 37.77 7.94 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.2 160.79 14.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.752 0.31 . . . . 0.0 111.212 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 m -97.2 -67.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -121.63 -178.36 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.128 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -69.55 -32.08 70.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.185 -175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.2 mp0 -67.97 -44.03 77.63 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.96 -41.65 87.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.66 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.23 87.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.281 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.66 -45.53 93.62 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.85 -12.33 24.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.458 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.7 m -99.03 -45.71 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.343 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 86.5 mt -86.13 -21.49 27.56 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.59 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 36.0 mt-10 -60.6 -52.72 70.69 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.332 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 50.0 Cg_exo -51.18 -33.53 44.64 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.598 2.199 . . . . 0.0 112.612 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 37.6 tp -65.12 -61.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.099 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m -64.06 -20.93 66.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.932 0.396 . . . . 0.0 111.172 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -1.86 7.17 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.115 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -59.12 -44.04 92.0 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.645 0.259 . . . . 0.0 110.785 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.2 m-85 -64.19 -51.71 62.45 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.257 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttp 70.57 -80.43 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.601 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -157.23 44.04 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.9 mt -56.2 -42.37 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.436 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 90' ' ' LYS . . . -167.36 -147.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.828 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.9 53.42 2.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 86' ' ' ILE . 22.5 m -98.4 122.55 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.133 0.492 . . . . 0.0 109.92 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HG2' ' HB ' ' A' ' 85' ' ' THR . 14.6 pt-20 -116.84 116.19 26.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.563 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.84 99.18 9.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.987 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -101.58 106.99 18.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.498 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 86.9 mt -87.07 114.42 23.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.97 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 46.6 p -101.27 118.77 37.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 97.7 m-85 -110.94 102.06 10.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 m -77.19 -66.75 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 177.06 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 p -90.14 -15.23 31.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.088 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -150.61 158.1 43.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.207 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.14 127.9 45.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.563 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 8.5 tt0 -113.32 124.33 52.23 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.329 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.635 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 32.3 mt-10 -84.04 92.66 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.3 t-20 -80.37 89.99 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' GLU . 36.9 t -102.89 140.14 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.218 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 64.7 m -130.28 105.45 7.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.931 0.396 . . . . 0.0 110.054 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.732 ' HA ' HG12 ' A' ' 69' ' ' VAL . 55.9 mt -95.25 111.66 26.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.251 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.54 ' OD2' ' HG3' ' A' ' 90' ' ' LYS . 20.4 t70 -82.35 117.73 22.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 91' ' ' VAL . 24.6 mmt -87.35 -2.91 58.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.729 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.22 -19.16 36.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.184 0.516 . . . . 0.0 109.785 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 14.7 mtpp -127.64 -1.44 6.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.253 -175.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 9.5 p -72.08 134.41 29.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.729 0.776 . . . . 0.0 111.414 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 13.6 t70 -91.28 118.89 30.87 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.295 176.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 95.3 m-85 -82.0 -6.48 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.841 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 61.5 tttp -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.78 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.095 172.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 52.7 mt -73.24 1.0 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.244 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.788 ' HA ' ' HE3' ' A' ' 110' ' ' LYS . 62.0 tt0 -66.96 -27.51 67.52 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 171.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -115.67 -8.8 13.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.617 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.5 mt -126.51 143.33 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.1 p -147.08 -67.06 0.26 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.78 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.9 5.25 89.58 Favored Glycine 0 C--N 1.316 -0.543 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 54.6 mt -116.88 125.38 73.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.975 -0.612 . . . . 0.0 109.403 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' HB ' ' A' ' 104' ' ' VAL . 92.5 m-20 -89.09 -160.28 0.65 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.894 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG21 HG13 ' A' ' 121' ' ' VAL . 89.7 t 78.18 -72.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 123.228 0.611 . . . . 0.0 110.373 -177.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -150.31 121.17 7.61 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.151 0.5 . . . . 0.0 111.199 176.143 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' LYS . . . -65.47 -22.53 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.712 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.52 -26.06 67.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.908 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.901 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 0.5 OUTLIER -67.83 -28.49 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.567 -178.128 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.42 -4.31 59.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.229 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.788 ' HE3' ' HA ' ' A' ' 97' ' ' GLN . 47.1 mmtm -93.05 -41.75 9.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.446 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.901 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 60.1 pttt -71.04 -33.91 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.894 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.73 141.14 4.22 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.456 HG23 ' SD ' ' A' ' 118' ' ' MET . 31.1 mm -103.99 120.21 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.499 . . . . 0.0 111.518 -176.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -128.22 -177.52 4.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.4 tpt -77.51 -22.23 51.51 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.151 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.19 60.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.21 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.94 -66.33 0.44 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.746 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.603 ' O ' ' HG2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -44.54 -51.59 8.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -176.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.87 -54.92 40.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.555 0.616 . . . . 0.0 111.766 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' LEU . 2.7 tm? -69.16 -33.33 73.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.45 0.643 . . . . 0.0 110.46 -175.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.555 HG13 HG21 ' A' ' 104' ' ' VAL . 7.8 t -76.98 -38.48 28.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.679 -174.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.603 ' HG2' ' O ' ' A' ' 118' ' ' MET . 33.0 mmt -63.29 -42.07 99.05 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.72 -43.7 98.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.748 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.35 85.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.393 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.06 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.384 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.6 31.42 7.47 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.172 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.405 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 23.4 m-85 -83.18 139.81 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' A' ' 128' ' ' LYS . 16.0 ptpt -102.02 133.82 46.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -85.16 135.58 33.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.262 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.38 -41.76 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.762 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.579 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 10.6 mtmp? 67.09 -171.22 0.19 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.1 mp -115.99 -5.56 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -168.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.579 ' OE2' ' HB3' ' A' ' 131' ' ' LYS . 1.9 mp0 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.945 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -114.74 11.41 16.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.139 0.495 . . . . 0.0 110.635 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -87.35 -78.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -141.7 -77.73 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 45.8 t60 53.16 48.22 22.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.48 -85.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.144 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 59.6 t60 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.449 179.393 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.594 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.71 18.49 67.97 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.54 174.16 10.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.074 -0.563 . . . . 0.0 110.315 -174.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -103.19 171.5 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.516 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.475 ' HG3' ' HD2' ' A' ' 26' ' ' LYS . 6.7 mp0 -77.27 113.88 15.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 172.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -97.8 162.59 13.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.324 -171.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 t -129.88 126.5 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.23 0.538 . . . . 0.0 111.359 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 5.4 mmmm -113.17 131.89 55.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.142 172.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -126.3 122.66 36.09 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.148 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.714 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 2.7 p90 -126.01 162.07 26.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 9.9 t -152.88 116.02 4.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.172 0.511 . . . . 0.0 109.827 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.02 109.46 20.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.809 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -89.63 87.82 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.564 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 pp -114.36 132.33 56.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.67 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 73.65 -32.0 0.23 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.716 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 147.75 -11.88 1.29 Allowed Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.412 ' CG2' HG12 ' A' ' 39' ' ' ILE . 86.1 m -97.67 133.91 41.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.599 0.237 . . . . 0.0 110.732 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 29.5 mt-10 -88.57 109.6 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' SER . 47.7 mt -90.93 96.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.5 102.18 11.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.728 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.714 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 51.9 mt -101.51 101.62 12.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.294 0.569 . . . . 0.0 109.992 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -94.67 94.28 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.973 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 19.5 p90 -100.78 131.7 46.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.607 0.718 . . . . 0.0 111.583 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.4 123.32 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.903 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE1' ' HG2' ' A' ' 8' ' ' LYS . 27.5 p90 -126.12 158.9 34.31 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.069 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 70.6 tttt -141.79 115.23 8.95 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.18 -134.52 29.19 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -169.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -103.8 68.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.546 0.673 . . . . 0.0 109.462 173.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -167.17 122.73 1.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.098 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 15.4 t -89.99 120.53 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -102.25 -21.98 14.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.626 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -140.66 120.1 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.746 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 51.9 tt0 -107.65 100.02 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.419 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 8.5 m -88.88 96.3 10.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.897 0.38 . . . . 0.0 110.419 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HG12 ' A' ' 21' ' ' ILE . 14.3 m -97.14 101.75 13.38 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 2.7 mt-10 -110.98 112.04 23.58 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.626 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 20.5 p -95.47 106.05 18.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.219 0.533 . . . . 0.0 111.135 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 29.4 ttmt -87.48 93.0 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.915 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.568 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 31.6 mt -91.75 127.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 42' ' ' ALA . 30.9 mm-40 -80.4 150.98 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.26 25.3 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.745 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 40' ' ' GLN . . . -126.54 -4.86 6.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.125 0.488 . . . . 0.0 110.097 174.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -118.54 -18.46 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 8.1 tt -87.61 -38.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.076 -174.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.8 35.36 5.4 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -172.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.38 126.61 50.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.612 -0.294 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 48' ' ' THR . 12.3 t -100.81 -15.06 17.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.203 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 47' ' ' THR . 61.5 p -138.6 172.27 13.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -39.74 89.11 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.534 0.683 . . . . 0.0 109.487 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.9 -35.92 64.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.036 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' HB2' ' H ' ' A' ' 48' ' ' THR . 4.9 m-20 -62.41 -40.58 96.98 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.176 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.84 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -64.71 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.897 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 51' ' ' ASP . 7.7 ttpm? -57.48 -24.05 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.995 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 61.4 m -93.12 -45.99 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.546 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 59' ' ' LEU . 69.7 mt -81.97 -30.5 31.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 56.0 mt-10 -57.15 -53.72 62.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.396 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 30.2 Cg_endo -64.83 -22.55 63.37 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.863 1.709 . . . . 0.0 112.669 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 56' ' ' LEU . 68.9 mt -74.65 -53.77 8.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.728 0.299 . . . . 0.0 110.497 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -64.64 -31.16 72.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.476 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -7.74 34.36 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.09 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' HD23 ' A' ' 59' ' ' LEU . 68.9 mttm -69.84 -26.15 64.09 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.407 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.8 m-85 -71.43 -55.14 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm 66.47 39.78 3.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.26 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 57.72 57.98 3.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.746 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ASP . 67.8 mt -53.26 -72.63 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.547 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -156.42 102.69 2.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.1 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.73 53.9 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.443 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 86' ' ' ILE . 16.4 m -85.39 118.97 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.763 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 42.5 mt-10 -93.54 92.7 7.7 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.774 175.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.64 94.03 9.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.87 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 65.6 mttm -115.08 123.6 49.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.831 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.93 111.77 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 42.5 p -101.77 113.67 27.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 0.0 110.447 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.499 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 94.6 m-85 -108.64 103.51 12.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 5.1 m -79.43 -72.52 0.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 76' ' ' THR . 23.0 t70 174.0 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.595 175.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m -90.1 -13.24 36.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -154.1 153.8 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.45 126.15 38.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.318 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.536 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 42.6 tt0 -110.9 115.2 29.1 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.018 0.437 . . . . 0.0 110.632 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 44.4 tt0 -85.24 93.58 8.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -86.61 101.83 13.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.63 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 82' ' ' GLU . 28.7 t -113.64 104.6 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.106 0.479 . . . . 0.0 111.213 -176.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.9 m -98.26 105.44 17.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.634 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.735 ' HA ' HG12 ' A' ' 69' ' ' VAL . 5.2 mp -92.75 125.64 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.646 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 91' ' ' VAL . 18.2 t70 -84.94 115.9 23.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.539 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 33.0 mtp -94.04 14.86 18.51 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.87 -169.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -102.17 -5.1 24.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.968 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.8 ttmm -139.28 2.01 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.507 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -47.8 129.44 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.604 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HB3' HG23 ' A' ' 66' ' ' ILE . 24.6 t70 -98.32 98.12 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.92 170.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -71.45 -12.42 61.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.916 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.62 -47.19 86.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.328 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.78 -46.25 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.744 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.55 -23.98 65.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.854 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.09 -27.22 31.7 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.104 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.45 103.52 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 117.09 0.445 . . . . 0.0 111.37 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 p -163.59 -57.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.282 0.563 . . . . 0.0 110.98 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.01 20.69 78.04 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.438 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.3 mt -99.22 142.17 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.441 -0.379 . . . . 0.0 109.989 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.694 ' HB3' ' HA ' ' A' ' 125' ' ' ALA . 7.7 t30 -75.25 78.63 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.88 146.51 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.691 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.503 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . 40.3 t -76.84 139.91 40.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.217 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.68 66.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 39.3 mt-10 -74.08 -23.27 59.32 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.078 176.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.937 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 5.5 t70 -90.34 -49.95 6.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.009 0.433 . . . . 0.0 110.13 -174.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -57.16 -39.91 76.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -82.94 4.08 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.937 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 61.1 mttm -78.01 -34.39 50.75 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.588 0.709 . . . . 0.0 109.323 171.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.61 94.99 2.38 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -166.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 109' ' ' ALA . 43.5 mm -63.07 127.1 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.688 0.756 . . . . 0.0 112.073 -168.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.8 p -107.28 -173.64 2.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.684 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -74.32 -43.83 55.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.51 -45.07 85.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.469 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.587 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 36.1 mt-30 -59.47 -59.12 5.95 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.507 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -46.99 -50.21 19.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.441 0.463 . . . . 0.0 112.173 -178.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.52 -57.99 10.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 111.69 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.07 -36.99 80.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 111.422 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -75.4 -39.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.97 -174.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.6 -38.11 73.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.854 0.359 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.6 -12.32 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.936 0.398 . . . . 0.0 110.236 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.8 -27.99 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.957 171.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.694 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -73.27 -10.15 59.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.928 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.3 16.59 60.36 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.968 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -90.99 154.7 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 13.3 ptmm? -118.24 143.28 46.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.781 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 23.5 mt-10 -73.81 147.61 43.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.681 177.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.18 -17.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 59.58 -157.42 0.33 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.151 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mp -134.16 -178.03 4.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 161.38 12.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -77.75 104.06 8.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.505 0.669 . . . . 0.0 110.275 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -112.2 97.98 7.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.59 15.12 2.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.011 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -85.85 97.0 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.511 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -83.68 -43.0 16.01 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.96 171.54 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.446 ' HA3' ' HG2' ' A' ' 6' ' ' GLU . . . -139.74 -152.81 5.92 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.161 -0.542 . . . . 0.0 111.778 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' OD2' ' HG3' ' A' ' 4' ' ' LYS . 32.4 t70 -153.75 -70.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.802 0.301 . . . . 0.0 111.241 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HG3' ' OD2' ' A' ' 3' ' ' ASP . 67.3 mttm -97.24 -77.76 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.61 . . . . 0.0 109.718 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.89 111.89 24.63 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 170.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 3' ' ' ASP . 39.0 mt-10 -99.39 140.77 33.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.299 -164.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 36.5 m -102.74 142.3 34.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.287 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' THR . 84.5 tttt -144.43 132.56 21.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.843 177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 9.3 tppt? -108.61 128.84 55.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.467 . . . . 0.0 111.274 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 1.5 p90 -127.34 147.35 50.25 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 165.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.622 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 23.2 t -142.86 106.39 4.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.764 0.316 . . . . 0.0 110.223 -174.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.02 46.66 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -93.21 96.02 9.74 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.14 96.21 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.278 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 70.96 -54.28 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.952 0.901 . . . . 0.0 111.544 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.524 ' HA3' ' OG ' ' A' ' 43' ' ' SER . . . -169.43 26.62 0.12 Allowed Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 39' ' ' ILE . 3.6 m -122.86 99.5 6.42 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 3.5 mt-10 -83.04 92.98 7.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.0 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -91.38 108.66 20.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.749 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 106.27 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.494 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.658 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -110.58 128.62 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.157 0.503 . . . . 0.0 111.034 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 4.1 m -112.12 116.98 31.37 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.834 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' A' ' 7' ' ' SER . 18.3 m-85 -81.29 147.05 30.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 49.6 t -119.88 95.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 163.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.538 ' HB3' HG22 ' A' ' 30' ' ' VAL . 51.2 p90 -109.68 138.68 45.69 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.966 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -113.6 99.22 7.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.369 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.35 -116.05 4.82 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -172.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -111.61 30.68 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.593 0.711 . . . . 0.0 109.697 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -127.0 110.33 12.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.238 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 25' ' ' TYR . 15.3 t -80.16 95.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 89.7 mt -91.24 -9.08 46.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.548 -170.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 38.8 mttp -151.87 136.39 16.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.68 0.276 . . . . 0.0 110.433 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.693 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 8.7 tt0 -125.83 119.7 28.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -102.33 99.04 9.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.037 0.446 . . . . 0.0 110.242 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -103.47 117.14 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.702 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 41.9 mt-10 -115.27 107.02 14.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.188 0.518 . . . . 0.0 110.181 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.576 HG23 HG12 ' A' ' 19' ' ' ILE . 30.9 m -90.19 112.41 23.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.983 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 39.2 tttm -99.9 97.76 8.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.215 0.531 . . . . 0.0 110.281 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.445 HG13 HG23 ' A' ' 17' ' ' THR . 4.0 mp -93.34 128.24 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.502 -176.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.88 133.34 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 49' ' ' LYS . 10.5 m-30 -61.57 -33.36 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -174.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.39 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.524 ' OG ' ' HA3' ' A' ' 16' ' ' GLY . 11.4 m -91.3 -43.5 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 41' ' ' PHE . 9.7 tt -70.88 -26.37 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.23 24.25 17.22 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.939 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -102.56 129.79 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.866 0.365 . . . . 0.0 110.532 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.9 m -82.76 -47.26 12.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.203 0.525 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' GLU . 26.9 m -107.19 155.99 19.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.602 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.7 ttpm? -52.57 -44.23 65.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.486 . . . . 0.0 110.817 174.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' H ' HG22 ' A' ' 48' ' ' THR . 2.2 mm-40 -67.79 -28.38 67.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.408 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.82 -30.21 63.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.937 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.54 -35.4 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.519 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.57 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -57.57 -18.87 21.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.8 m -98.35 -42.94 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.3 mt -79.72 -36.24 37.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.609 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 56.3 mm-40 -51.93 -53.66 49.0 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 46.0 Cg_exo -52.83 -37.95 77.53 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.355 2.037 . . . . 0.0 113.559 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 55' ' ' THR . 8.7 mp -69.68 -53.87 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -170.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -65.11 -29.52 70.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.756 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.29 -0.31 3.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.797 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.683 ' HB3' HG12 ' A' ' 99' ' ' ILE . 94.1 mttt -87.25 0.58 55.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 175.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 66' ' ' ILE . 45.7 m-85 -112.52 -17.87 12.55 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.614 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 1.4 pptp? -51.81 115.07 1.48 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.522 0.677 . . . . 0.0 112.612 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.6 m120 65.68 30.78 10.18 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.587 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 62' ' ' LYS . 39.5 mt -73.4 -33.28 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.864 0.84 . . . . 0.0 109.508 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.86 -149.08 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.436 -1.256 . . . . 0.0 108.0 -175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.39 54.05 2.35 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.337 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 86' ' ' ILE . 3.7 m -110.21 124.92 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.178 0.513 . . . . 0.0 110.874 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.41 116.12 27.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -93.11 125.03 37.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 83' ' ' ASN . 66.0 mttp -130.73 96.19 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.87 0.367 . . . . 0.0 110.502 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 74.3 mt -83.53 105.92 14.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.277 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.5 p -106.64 109.98 22.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.42 0.628 . . . . 0.0 110.807 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 62.6 m-85 -99.15 134.99 41.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.0 p -101.83 -77.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.048 0.451 . . . . 0.0 110.726 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -174.16 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.217 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m -109.89 -23.9 11.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -143.91 166.48 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.8 140.46 44.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' THR . 74.9 mt-30 -117.27 122.74 44.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.916 0.389 . . . . 0.0 111.487 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 31.2 mt-10 -84.9 90.47 7.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 169.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 13.7 m120 -78.82 94.17 5.12 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 t -111.52 128.85 67.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.166 0.508 . . . . 0.0 111.409 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.687 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.5 m -110.88 111.4 22.52 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HA ' HG12 ' A' ' 69' ' ' VAL . 72.5 mt -110.29 107.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.8 t70 -69.34 126.94 31.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 78.8 mtp -107.12 17.18 23.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 31' ' ' LEU . 45.4 mt-10 -94.93 -34.87 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -115.07 22.36 13.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.45 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -52.38 110.27 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 121.105 0.479 . . . . 0.0 111.168 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.8 89.25 5.8 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 70.5 m-85 -65.68 -15.81 63.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -66.01 -48.09 72.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.541 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.5 49.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.716 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 33.0 mt -60.41 -19.18 55.18 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.44 -21.94 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.834 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.43 -2.68 63.49 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.683 HG12 ' HB3' ' A' ' 62' ' ' LYS . 4.2 mp -128.46 -90.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.756 0.278 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m 60.63 -85.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.365 0.666 . . . . 0.0 111.907 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.21 0.72 70.39 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.161 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.92 131.33 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 110.387 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.72 87.3 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.067 0.461 . . . . 0.0 109.885 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 105' ' ' SER . 9.7 p -148.67 171.85 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.3 -177.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.508 ' H ' HG22 ' A' ' 104' ' ' VAL . 10.5 p -91.1 175.71 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.529 ' HB1' ' HE2' ' A' ' 110' ' ' LYS . . . -83.19 -24.28 32.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.48 16.41 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.686 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -126.09 -67.2 0.88 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -59.65 -52.57 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.848 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.529 ' HE2' ' HB1' ' A' ' 106' ' ' ALA . 46.6 mtmt -85.11 4.22 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -175.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -97.16 -32.22 12.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.22 115.61 1.68 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 109' ' ' ALA . 27.1 mm -85.31 137.31 21.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.364 0.602 . . . . 0.0 111.587 -174.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.48 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 66.6 p -127.14 -172.44 2.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.729 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.78 -47.51 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.13 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.48 ' HB2' ' H ' ' A' ' 114' ' ' THR . 3.7 tp60 -54.94 -71.81 0.08 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.696 173.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -55.94 -30.67 62.04 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -59.07 -62.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.474 . . . . 0.0 110.53 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.08 -41.36 98.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.628 0.728 . . . . 0.0 111.5 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.7 t -79.38 -48.13 21.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 114.674 -1.148 . . . . 0.0 112.354 -169.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.706 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -72.18 -33.52 67.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 0.0 111.079 -179.106 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.18 -21.23 54.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.442 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.5 70.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 110.409 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.18 -15.35 62.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.836 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.22 37.04 25.8 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.167 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 122' ' ' MET . 22.7 m-85 -78.73 161.87 26.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.396 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' A' ' 11' ' ' SER . 87.8 tttt -91.92 101.0 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.162 0.506 . . . . 0.0 109.845 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -85.83 126.54 34.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.176 -174.359 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 131' ' ' LYS . 42.9 t -117.85 -20.7 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 129' ' ' GLU . 13.7 mptt 62.02 -114.2 0.52 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -165.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 133' ' ' GLU . 3.9 pp 168.65 -32.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 109.871 173.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.588 ' N ' HD12 ' A' ' 132' ' ' LEU . 44.3 tt0 -75.6 -35.75 60.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.485 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.24 13.1 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.749 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -70.33 123.19 21.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.177 0.513 . . . . 0.0 111.028 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.66 -27.02 14.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 109.904 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -101.97 139.55 37.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -91.78 149.31 21.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 111.552 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 . . . . . 0 C--O 1.244 0.814 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.548 175.586 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.63 50.87 2.58 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.08 -52.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 123.536 0.734 . . . . 0.0 109.538 -170.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 74.81 155.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.739 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.31 100.35 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.208 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 66.4 mt-10 -97.69 137.27 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.663 ' HB2' HD11 ' A' ' 132' ' ' LEU . 13.7 m -95.45 111.69 23.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -114.1 115.53 27.69 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 37.0 ttpt -107.23 147.35 30.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 21' ' ' ILE . 3.8 p90 -126.62 144.47 50.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 164.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -137.83 106.55 5.9 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.027 0.442 . . . . 0.0 110.396 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.33 122.97 41.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 18' ' ' GLU . 5.4 t30 -80.94 93.91 6.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.35 84.28 7.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.824 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 62.52 8.27 2.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.862 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.61 -44.64 0.62 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.909 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 HG12 ' A' ' 39' ' ' ILE . 1.9 p -82.28 118.88 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.933 0.396 . . . . 0.0 110.842 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.6 mt-10 -86.41 96.06 9.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.329 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -93.03 110.29 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.263 0.554 . . . . 0.0 110.992 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.93 108.91 19.34 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.35 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 43.8 mt -112.85 113.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.089 -177.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.44 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 7.8 m -104.93 108.53 20.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.683 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -106.0 120.51 41.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.415 0.626 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 93.1 t -91.48 121.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.501 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 28.2 p90 -119.31 154.47 33.46 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.459 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 4.0 ttmp? -123.42 94.96 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.08 -116.2 4.22 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.995 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.52 -12.31 29.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.796 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' A' ' 31' ' ' LEU . 16.6 ttmm -112.67 121.77 45.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -170.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.6 t -76.16 133.22 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD22 ' HG2' ' A' ' 89' ' ' GLU . 94.7 mt -121.41 -3.2 9.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -166.27 117.19 0.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.911 0.386 . . . . 0.0 111.23 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -111.41 103.97 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -90.02 100.71 13.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.27 0.557 . . . . 0.0 110.363 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' HG12 ' A' ' 21' ' ' ILE . 6.1 m -105.08 113.08 26.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.222 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.6 tt0 -114.38 111.15 21.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.235 0.54 . . . . 0.0 110.266 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 19.6 m -89.48 108.46 19.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.029 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.3 tttm -87.15 108.38 18.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.476 0.655 . . . . 0.0 109.863 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 17' ' ' THR . 45.1 mt -107.9 133.49 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.453 -173.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.55 139.65 30.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.033 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.97 -31.8 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.34 63.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.406 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -88.77 -43.13 11.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 0.0 110.393 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 tt -79.05 -18.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.973 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.16 38.01 16.59 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.407 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.56 116.24 31.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.32 . . . . 0.0 110.339 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 -14.04 51.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.765 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -151.57 176.42 11.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.089 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.91 -35.58 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.12 -43.35 95.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.967 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.525 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 1.1 m-20 -60.37 -37.0 79.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.82 -53.53 17.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -62.07 -46.4 89.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.064 -176.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 63.5 pttt -59.8 -19.24 49.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.785 0.326 . . . . 0.0 111.285 -176.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' HD13 ' A' ' 59' ' ' LEU . 16.6 m -99.13 -41.75 7.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.341 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.09 -31.53 23.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 47.7 mt-10 -60.3 -50.86 83.92 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 26.2 Cg_endo -64.2 -14.2 42.39 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.852 1.702 . . . . 0.0 112.51 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 55' ' ' THR . 6.9 mp -84.88 -50.75 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.713 0.292 . . . . 0.0 110.326 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 73' ' ' LEU . 8.7 p -70.12 -16.06 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.08 62.38 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -75.04 -4.94 41.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -114.24 22.41 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -105.88 -5.54 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -133.89 11.85 3.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.616 HG21 ' HG ' ' A' ' 96' ' ' LEU . 37.2 mt -92.7 -90.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.048 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.48 -146.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.357 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.88 52.91 2.5 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -92.94 112.97 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.447 0.642 . . . . 0.0 110.902 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 49.2 mt-10 -96.62 148.49 22.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.607 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.36 151.95 50.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 111.256 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 21.2 mtpp -144.26 100.03 3.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 60' ' ' SER . 85.4 mt -80.83 99.72 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.72 108.82 17.62 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 -174.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -114.27 120.03 39.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.092 0.472 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.7 m -69.2 -58.44 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 179.07 -48.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.03 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -95.79 -19.22 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.182 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -146.71 158.03 43.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.864 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.87 136.64 54.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.572 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -104.98 112.25 25.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 40.4 tt0 -91.63 82.48 5.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 26.0 t-20 -83.03 106.83 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.57 109.69 29.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 111.086 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 92.3 m -95.81 102.77 14.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.13 0.491 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.721 ' HA ' HG12 ' A' ' 69' ' ' VAL . 64.9 mt -94.93 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.2 t70 -74.6 122.12 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.095 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.67 ' HA ' HG13 ' A' ' 91' ' ' VAL . 58.8 mtt -98.82 16.17 23.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.495 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.545 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.7 mt-10 -98.89 -19.89 17.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 0.0 110.251 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -131.19 26.87 4.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.181 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -57.16 139.8 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.444 0.64 . . . . 0.0 112.702 -178.093 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -110.56 98.98 8.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.137 171.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.563 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 88.1 m-85 -76.53 -1.42 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 110.606 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -70.0 -51.41 32.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.841 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -70.74 -43.61 68.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.143 0.497 . . . . 0.0 110.071 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 66' ' ' ILE . 24.1 mt -68.36 -9.19 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.35 -44.28 92.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.34 -27.18 10.19 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.593 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.6 mt -84.17 -11.24 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.4 p -65.03 98.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.265 0.555 . . . . 0.0 111.845 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.4 7.28 82.12 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.527 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.2 mt -81.13 62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -87.44 71.66 9.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.415 0.626 . . . . 0.0 111.697 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 121' ' ' VAL . 58.4 t -88.18 -52.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 162.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 108' ' ' ASP . 2.4 p -144.29 100.4 3.54 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.607 -1.633 . . . . 0.0 107.432 162.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -51.04 -34.57 30.33 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.23 -26.11 67.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.251 -178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 105' ' ' SER . 0.8 OUTLIER -63.4 -44.66 94.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.305 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.76 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mttm -72.63 -19.14 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.318 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -89.38 -52.51 5.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.521 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 152.14 119.72 0.83 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.083 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.2 mm -83.45 124.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 111.397 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -127.2 -176.55 3.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.483 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.492 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 2.6 tpt -65.61 -48.6 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.472 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.2 67.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.404 ' HG3' ' OD2' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -58.63 -66.8 0.44 Allowed 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.659 176.009 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.519 ' O ' ' HB2' ' A' ' 122' ' ' MET . 6.2 ttm -54.38 -34.92 62.19 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 5.6 mm-40 -59.99 -64.01 1.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.022 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.19 -36.16 81.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.489 0.662 . . . . 0.0 111.145 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.429 ' O ' HG11 ' A' ' 104' ' ' VAL . 6.8 t -75.13 -47.75 34.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.025 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -71.04 -33.76 70.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.135 -0.353 . . . . 0.0 111.235 -178.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 30.3 mtpp -71.12 -27.69 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 0.0 110.165 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.62 61.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.59 -6.19 58.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.81 29.39 54.85 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.182 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.464 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 17.4 m-85 -83.67 146.57 28.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.52 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -99.76 118.47 36.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.512 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.46 96.63 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.765 0.793 . . . . 0.0 111.353 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.02 104.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.495 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -84.26 113.74 21.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.371 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 7' ' ' SER . 3.2 pp -98.35 6.51 47.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.367 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 133' ' ' GLU . 0.0 OUTLIER -70.25 -46.3 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 48.12 60.89 3.29 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.054 0.846 . . . . 0.0 110.772 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 130.19 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.724 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.88 162.99 25.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.346 -170.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -69.64 81.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.895 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.02 137.89 51.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 13.2 p80 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.856 -1.068 . . . . 0.0 109.515 -178.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.907 0.384 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.51 -22.92 32.75 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -169.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.08 151.1 21.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.897 -1.152 . . . . 0.0 109.648 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -139.36 -46.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.224 0.535 . . . . 0.0 110.339 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -119.3 118.68 31.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.017 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.0 mm-40 -98.32 133.65 42.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.732 -169.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -109.48 117.83 35.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 32.6 mtpt -113.33 110.42 20.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.56 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' A' ' 22' ' ' THR . 21.2 ttmm -106.87 97.76 7.51 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.775 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 6.4 p90 -94.57 142.35 27.54 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 33.0 t -143.05 123.11 13.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.154 0.502 . . . . 0.0 110.598 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.92 126.12 43.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.447 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -76.52 106.35 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.321 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -83.49 -156.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.78 -58.32 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.878 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.14 7.27 4.39 Favored Glycine 0 C--N 1.311 -0.818 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.677 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 39' ' ' ILE . 39.0 m -136.58 117.92 14.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 42.6 mt-10 -87.19 117.59 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 175.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' SER . 62.1 mt -100.83 108.18 22.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.908 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -113.27 109.45 18.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.751 175.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.686 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 54.5 mt -108.18 111.17 34.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.805 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.0 m -94.77 96.25 9.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.708 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -104.0 133.1 49.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.693 0.758 . . . . 0.0 111.058 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 74.9 t -104.48 113.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.478 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 45.1 p90 -112.78 154.56 26.03 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.438 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -133.05 90.49 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 -117.16 4.35 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.168 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -11.85 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.369 . . . . 0.0 110.683 175.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.3 tmtm? -94.25 112.62 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.032 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 11.3 t -79.65 119.11 28.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' HD2' ' A' ' 29' ' ' LYS . 95.9 mt -100.73 -17.55 16.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -169.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 51.6 tttp -153.35 141.64 20.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.56 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.623 HE22 HD11 ' A' ' 102' ' ' ILE . 50.7 tt0 -131.08 148.12 52.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.567 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 50.7 m -140.3 99.02 3.56 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.045 0.45 . . . . 0.0 110.069 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HG12 ' A' ' 21' ' ' ILE . 46.5 m -97.49 97.56 9.19 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.484 0.659 . . . . 0.0 109.735 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -99.83 112.74 24.98 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.548 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 29.9 p -103.35 122.79 45.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.101 0.477 . . . . 0.0 111.367 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.538 ' HG3' ' CD1' ' A' ' 79' ' ' TYR . 4.1 ttmp? -94.22 99.53 11.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 17' ' ' THR . 4.6 mp -96.75 117.54 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.465 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.38 143.92 46.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.432 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 7.0 m-30 -62.3 -24.74 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.507 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.79 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -88.0 -23.17 23.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.399 . . . . 0.0 110.551 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' A' ' 55' ' ' THR . 3.4 tt -98.11 -27.49 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.784 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.78 30.64 14.53 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.369 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.6 39.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.929 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.7 p -83.73 -29.4 27.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.605 0.716 . . . . 0.0 110.222 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 50' ' ' GLU . 14.4 t -156.12 -174.12 4.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.136 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -64.07 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.644 ' H ' HG23 ' A' ' 48' ' ' THR . 30.7 tt0 -60.28 -57.48 12.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.568 0.223 . . . . 0.0 110.503 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.51 -36.29 75.8 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.076 0.465 . . . . 0.0 110.329 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.79 76.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.315 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.82 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.688 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' HG2' ' A' ' 50' ' ' GLU . 36.0 mtpt -49.72 -32.1 12.77 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.585 ' HB ' HD11 ' A' ' 44' ' ' ILE . 4.4 m -99.49 -42.97 6.71 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 79.7 mt -89.08 -15.03 34.95 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -171.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 31.9 mm-40 -62.56 -55.56 37.98 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 122.204 -0.31 . . . . 0.0 110.726 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 53.0 Cg_exo -54.92 -28.02 56.85 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 122.079 1.853 . . . . 0.0 112.321 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 28.7 tp -66.14 -58.34 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.596 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p -78.2 -17.37 56.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.502 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.2 2.58 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 99' ' ' ILE . 61.7 mttp -78.6 -25.76 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.57 0.224 . . . . 0.0 110.712 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' OH ' ' HA ' ' A' ' 100' ' ' SER . 80.1 m-85 -96.87 22.18 8.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.49 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.69 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -174.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t30 47.11 64.14 1.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.593 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 62' ' ' LYS . 28.9 mt -85.7 -28.6 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.084 0.945 . . . . 0.0 108.635 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -165.62 -146.7 0.09 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.985 -1.462 . . . . 0.0 107.998 -175.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.27 45.85 2.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.402 172.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 86' ' ' ILE . 4.3 m -104.82 127.11 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 121.014 0.435 . . . . 0.0 110.967 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.45 110.27 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.474 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 93.92 9.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 174.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 19.2 ttmt -111.41 96.29 6.02 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.342 -169.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 42.4 mt -84.82 106.55 16.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.506 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -101.8 117.61 35.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.153 0.502 . . . . 0.0 110.147 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -84.72 109.91 18.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -82.37 -66.27 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 t70 173.33 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.072 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 m -93.87 -16.01 24.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.357 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' HG3' ' A' ' 38' ' ' LYS . 48.1 p90 -150.29 170.89 17.93 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.22 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.27 130.59 56.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.645 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.81 108.4 20.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.642 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.5 tt0 -91.53 86.74 6.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.29 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -80.36 95.54 6.41 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HG2' ' A' ' 82' ' ' GLU . 46.7 t -98.52 108.21 21.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.944 0.402 . . . . 0.0 111.023 -175.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 10.4 m -92.04 98.61 11.66 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.873 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.5 mt -93.41 112.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' HB3' HG13 ' A' ' 91' ' ' VAL . 17.6 t70 -68.32 162.85 24.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.469 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.419 ' HB2' ' C ' ' A' ' 31' ' ' LEU . 42.3 mtt -136.73 18.7 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -115.43 -40.62 3.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -114.28 10.59 17.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.861 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -79.03 179.38 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.077 0.941 . . . . 0.0 113.433 -176.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.59 104.65 5.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.562 170.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -64.79 -25.81 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.555 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.08 -52.81 63.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.128 0.49 . . . . 0.0 109.991 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.84 -27.15 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.274 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 99' ' ' ILE . 72.7 mt -83.17 -12.41 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.67 -43.99 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.526 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.69 16.18 51.86 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 62' ' ' LYS . 47.2 mm -116.07 -54.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.709 0.29 . . . . 0.0 111.385 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.578 ' HA ' ' OH ' ' A' ' 63' ' ' TYR . 35.1 m -65.37 -16.23 63.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.815 -171.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.6 -13.27 53.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.717 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.623 HD11 HE22 ' A' ' 33' ' ' GLN . 56.7 mt -70.83 90.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -126.19 49.64 1.97 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.524 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.63 -15.06 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.897 0.856 . . . . 0.0 108.868 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -157.79 -176.43 5.93 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.273 -1.33 . . . . 0.0 107.76 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.39 -22.48 17.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.28 0.562 . . . . 0.0 109.96 171.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -89.33 -13.39 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.494 -174.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -57.56 -53.6 56.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.656 0.265 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.23 -45.39 48.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.694 0.283 . . . . 0.0 111.254 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.13 -20.88 33.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.469 . . . . 0.0 110.977 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.77 136.88 9.37 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.167 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.71 120.21 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.232 0.539 . . . . 0.0 111.409 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.62 168.66 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.248 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.9 tpt -69.65 -40.53 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.04 69.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -58.99 -66.0 0.58 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.474 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 20.6 mmt -44.9 -47.08 11.21 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -56.34 -57.24 13.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.536 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.79 -27.66 62.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 111.662 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.8 -42.64 19.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.385 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.553 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -69.31 -37.38 77.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.952 0.405 . . . . 0.0 110.328 176.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -70.54 -27.78 64.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.265 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.456 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.03 1.81 54.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.53 46.01 87.1 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.333 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.553 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 29.0 m-85 -78.0 158.79 29.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.909 0.385 . . . . 0.0 110.393 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -108.48 106.06 15.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.48 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 13.8 mt-10 -91.23 121.26 32.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.402 0.62 . . . . 0.0 112.055 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.29 110.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.622 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 131' ' ' LYS . 36.4 mtpt -67.05 113.02 4.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.482 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 32.6 tp -80.76 76.54 7.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.363 0.601 . . . . 0.0 109.845 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.875 ' HB2' ' HB2' ' A' ' 136' ' ' HIS . 26.7 mt-10 -106.47 153.51 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.246 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -66.24 -37.25 85.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -90.72 19.73 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.875 ' HB2' ' HB2' ' A' ' 133' ' ' GLU . 4.3 t60 -106.32 -46.06 4.13 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -89.88 118.42 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -133.2 161.44 34.44 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.771 0.319 . . . . 0.0 111.165 -172.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.3 t60 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.917 171.537 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttp . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.841 0.353 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.64 48.52 0.96 Allowed Glycine 0 CA--C 1.505 -0.586 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 0.9 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.33 -0.935 . . . . 0.0 111.158 -167.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -117.22 110.94 18.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.324 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.69 79.75 0.23 Allowed 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.185 0.928 . . . . 0.0 110.023 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 45.7 mt-10 -97.72 137.45 36.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.493 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 t -97.72 112.14 24.15 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HD2' ' HB3' ' A' ' 131' ' ' LYS . 9.9 tptm -113.64 95.18 5.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.761 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.3 ttmm -95.63 123.88 39.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.731 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 3.1 p90 -106.69 139.86 40.46 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 29.7 t -136.57 131.23 33.51 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.81 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.95 128.86 33.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.751 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 1.6 m-20 -104.16 99.13 8.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -175.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 pp -138.15 140.12 39.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 111.724 -174.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.2 t30 59.53 27.0 16.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.375 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' HG ' ' A' ' 43' ' ' SER . . . 74.24 13.85 81.06 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.19 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 HG13 ' A' ' 39' ' ' ILE . 11.3 m -118.39 98.62 6.36 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' A' ' 38' ' ' LYS . 5.9 mt-10 -83.46 96.24 8.51 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 63.7 mt -91.68 125.23 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 -172.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -135.92 102.95 5.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.416 0.627 . . . . 0.0 110.501 174.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.731 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 75.9 mt -93.56 114.95 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.813 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.0 m -103.07 100.62 10.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.901 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 17.6 p90 -106.46 127.94 53.68 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.411 0.624 . . . . 0.0 111.051 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 30.0 t -94.03 118.62 40.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.294 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -127.89 164.58 21.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.269 0.557 . . . . 0.0 111.72 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE3' HD12 ' A' ' 31' ' ' LEU . 17.0 mtmt -142.55 99.6 3.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.412 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.58 -141.41 20.36 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -86.92 5.85 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.175 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' HD23 ' A' ' 31' ' ' LEU . 5.3 tmtt? -108.46 112.23 24.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.519 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.92 127.03 39.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD23 ' HD2' ' A' ' 29' ' ' LYS . 84.5 mt -109.85 -33.42 6.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.763 0.316 . . . . 0.0 111.455 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 38.4 mmtm -131.48 147.7 52.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.77 0.319 . . . . 0.0 110.969 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.579 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 9.5 tt0 -136.12 139.54 43.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 m -123.81 111.51 16.19 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 m -97.49 99.61 11.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 8.0 tt0 -115.02 108.44 16.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.367 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.725 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 19.4 p -111.41 136.98 49.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.858 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 77.5 tttt -107.86 99.66 9.1 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 HG23 ' A' ' 17' ' ' THR . 4.8 mp -96.03 120.61 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -73.45 143.57 46.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.015 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -58.81 -32.79 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 111.398 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.98 69.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.261 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.437 ' HG ' ' HA3' ' A' ' 16' ' ' GLY . 38.2 m -79.09 -43.78 23.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.176 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.53 HG23 ' H ' ' A' ' 46' ' ' ALA . 7.2 tt -73.35 -25.71 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.78 24.08 58.8 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.723 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -75.4 147.08 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -84.36 -49.38 8.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.448 ' H ' ' HB3' ' A' ' 51' ' ' ASP . 36.7 p -138.61 -178.44 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.98 177.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.63 -31.89 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.57 -43.86 68.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.04 0.448 . . . . 0.0 110.064 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.484 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 34.0 t70 -64.49 -30.47 71.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.357 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.67 93.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.22 79.48 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.61 -12.82 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.408 ' HB ' HD11 ' A' ' 44' ' ' ILE . 24.6 m -98.75 -43.79 6.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.16 -37.51 26.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 21.3 mt-10 -52.49 -53.8 49.49 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 85.8 Cg_exo -44.77 -31.85 5.51 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.136 2.557 . . . . 0.0 113.681 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.3 -59.97 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.691 0.281 . . . . 0.0 110.948 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m -65.93 -27.49 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.964 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.15 -3.6 24.22 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.526 ' HB3' HD13 ' A' ' 99' ' ' ILE . 64.1 mttp -75.28 -14.7 60.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.515 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.5 m-85 -84.26 -29.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.401 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -75.98 34.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -167.523 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.45 -12.51 4.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.2 171.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.767 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.3 mt -89.54 -168.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.488 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.767 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -98.26 129.61 44.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.482 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . 61.39 25.36 64.85 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.389 173.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.1 m -105.41 136.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.082 0.468 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -134.28 103.35 5.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.286 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 3.0 pm0 -85.26 98.48 10.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.761 0.791 . . . . 0.0 110.77 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -100.11 102.32 13.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.094 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 92.9 mt -95.11 105.5 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.846 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -101.88 109.53 21.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.16 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 98.7 m-85 -103.88 138.58 40.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -119.02 -159.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 170.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.56 -6.93 24.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.581 0.705 . . . . 0.0 109.562 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 m -112.77 -39.67 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.66 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -149.81 168.73 22.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 111.198 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.93 44.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.04 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 60.8 tt0 -100.77 115.03 29.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.035 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.725 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.0 tt0 -94.43 97.5 10.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -105.85 97.86 7.63 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 82' ' ' GLU . 57.4 t -108.15 133.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 -173.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 5.5 m -100.04 142.18 31.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 69.4 mt -138.04 126.21 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 21.8 t70 -94.66 106.67 18.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.381 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.554 ' HA ' HG12 ' A' ' 91' ' ' VAL . 29.2 mtt -79.8 17.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.387 -176.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -104.34 -19.87 13.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -140.25 -6.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 88' ' ' MET . 10.4 p -58.75 139.57 18.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.31 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -101.38 114.96 29.43 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 97.9 m-85 -75.21 -15.29 60.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.478 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 1.3 tmmt? -74.6 -27.83 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.406 174.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.68 -27.79 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.299 0.571 . . . . 0.0 109.752 172.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 21.4 mt -76.11 1.21 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 174.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 6.3 tp60 -41.09 -44.88 2.58 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.728 0.811 . . . . 0.0 112.167 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.53 19.25 7.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.75 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 62' ' ' LYS . 13.2 mt -130.59 11.07 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.768 0.794 . . . . 0.0 109.838 -175.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.3 p -74.51 102.55 4.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.856 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.26 -24.14 60.8 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 172.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 109' ' ' ALA . 9.0 mm -85.44 105.74 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -140.93 98.99 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.969 0.414 . . . . 0.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -143.69 -45.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.982 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -138.19 174.38 10.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.845 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -95.43 5.19 52.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.93 0.395 . . . . 0.0 111.074 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -105.12 -8.64 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.328 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.678 ' HA ' ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER -100.2 -88.02 0.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.552 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.588 ' HB2' ' HB ' ' A' ' 102' ' ' ILE . . . -67.46 -32.98 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 111.614 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 106' ' ' ALA . 51.4 tptt -70.71 -17.01 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.515 -173.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.66 18.69 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.463 . . . . 0.0 111.431 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.95 121.99 3.96 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.534 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.2 110.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.496 0.665 . . . . 0.0 111.4 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.7 ' HB ' ' OE1' ' A' ' 117' ' ' GLN . 43.2 m -107.89 149.19 28.6 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.6 tpt -62.17 -30.69 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.578 0.228 . . . . 0.0 111.406 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -53.04 61.09 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.856 0.36 . . . . 0.0 110.115 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.7 ' OE1' ' HB ' ' A' ' 114' ' ' THR . 14.3 mp0 -53.82 -66.91 0.31 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.04 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -54.73 2.4 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.606 0.762 . . . . 0.0 112.904 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -57.58 -57.62 11.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.76 -31.99 72.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.346 0.593 . . . . 0.0 110.993 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 t -75.56 -42.28 41.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.404 -175.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.518 ' HE3' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -62.89 -37.76 88.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.227 0.537 . . . . 0.0 110.234 175.452 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -74.12 -32.89 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.448 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.227 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.17 -10.75 56.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.265 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.24 43.02 26.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.852 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.95 163.74 21.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -90.63 130.22 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.81 72.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.69 ' HB3' ' HD2' ' A' ' 8' ' ' LYS . 2.4 pptp? -78.34 119.41 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.34 101.91 8.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.137 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.87 88.16 0.73 Allowed 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -31.23 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 -176.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.65 120.86 32.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 173.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -80.57 39.79 0.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.119 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 28.8 m170 61.98 76.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.449 0.643 . . . . 0.0 110.22 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -118.36 116.3 26.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.649 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.364 177.427 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.105 0.478 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.99 49.57 0.84 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -151.72 170.7 19.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.419 -166.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.54 147.51 51.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -83.77 100.31 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -97.39 125.02 41.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.371 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -103.37 133.62 48.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -125.44 111.67 15.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.978 0.418 . . . . 0.0 110.604 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.533 ' HB2' HG23 ' A' ' 22' ' ' THR . 22.9 ttmm -100.19 117.85 35.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.506 178.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.5 p90 -116.73 152.24 34.72 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.9 t -146.94 118.67 8.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.05 146.06 50.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.02 120.27 39.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.574 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 16' ' ' GLY . 3.8 pp -145.53 142.44 29.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.92 -12.58 0.47 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 111.542 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 115.53 -3.12 21.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -174.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 m -107.56 138.79 43.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.446 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.8 mt-10 -94.27 106.65 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 11' ' ' SER . 53.8 mt -90.86 104.45 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.493 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -109.66 95.02 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 68.6 mt -93.85 117.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.912 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 9' ' ' LYS . 5.2 m -106.31 90.24 3.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.467 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -99.51 132.21 45.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.647 . . . . 0.0 111.352 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -98.91 118.31 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.236 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.5 p90 -109.61 134.91 51.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HB3' HD12 ' A' ' 31' ' ' LEU . 77.2 tttt -114.53 104.56 12.14 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.74 -116.11 4.18 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.161 -171.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.41 -8.92 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.02 0.438 . . . . 0.0 111.09 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 34.9 ttmt -111.46 135.34 52.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.716 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 4.4 t -78.9 118.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 mt -110.83 -3.6 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 33.6 mttp -155.05 131.98 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.753 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 59.1 tt0 -124.26 103.81 8.45 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.792 0.33 . . . . 0.0 110.837 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -85.6 91.25 8.21 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -97.26 108.64 21.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.736 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 38.8 tt0 -122.38 116.0 23.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.58 -176.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 47.5 p -97.73 119.43 36.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.329 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 84.5 tttt -83.71 97.4 9.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -100.77 103.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.004 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -65.15 147.14 54.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -60.91 -23.18 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.91 60.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.83 0.347 . . . . 0.0 111.276 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.3 t -87.14 -14.85 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.925 0.393 . . . . 0.0 110.604 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' ' 55' ' ' THR . 5.4 tt -111.23 -26.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.62 33.72 11.08 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.58 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.46 120.23 39.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -75.71 -31.61 59.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.214 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -129.67 156.11 44.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.427 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -64.33 -24.67 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.183 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -46.23 89.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.764 172.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 58.3 m-20 -61.34 -38.02 85.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.86 -51.61 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.781 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.7 -43.03 99.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.136 0.493 . . . . 0.0 110.818 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 21.1 ttpt -57.79 -22.22 46.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.984 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 44' ' ' ILE . 13.0 m -98.87 -42.88 6.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.008 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 77.5 mt -90.51 -23.93 20.79 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -168.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 39.0 mt-10 -60.7 -48.45 93.13 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.377 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 40.8 Cg_endo -69.77 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.922 1.748 . . . . 0.0 112.404 173.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 21.3 tp -84.23 -44.76 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 77.2 p -76.66 -15.45 59.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.435 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.13 2.26 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.273 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HB3' HG23 ' A' ' 99' ' ' ILE . 93.5 mttt -77.23 -27.31 53.33 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.349 -0.22 . . . . 0.0 110.59 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.5 m-85 -84.66 -54.34 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.918 -176.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 56.81 -86.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.07 26.01 5.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -168.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 99' ' ' ILE . 46.0 mt -66.55 94.27 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.091 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.15 -86.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.118 0.567 . . . . 0.0 112.33 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.8 44.01 1.0 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 86' ' ' ILE . 12.8 m -82.1 110.86 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 11.8 mm-40 -93.8 108.03 19.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.53 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 7.0 pt-20 -94.84 96.48 9.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.377 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -116.84 115.55 25.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.124 0.487 . . . . 0.0 111.484 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 82' ' ' GLU . 63.0 mt -99.99 106.85 18.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.047 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 17.0 p -101.7 109.76 21.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.485 0.66 . . . . 0.0 110.982 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 42.2 m-85 -94.36 108.49 20.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.573 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -81.29 -76.84 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 0.0 111.45 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -145.59 -61.96 0.34 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.096 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -119.9 4.35 10.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 111.053 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -147.78 146.6 29.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.09 54.47 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.203 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 27.0 mt-30 -101.15 110.26 22.26 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.736 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.4 tt0 -83.8 86.29 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -90.2 96.88 10.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 82' ' ' GLU . 48.6 t -102.85 118.8 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.997 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 19.3 m -102.14 99.53 9.67 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.663 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.1 mt -93.53 113.2 27.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.54 108.27 6.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 76.9 mtp -91.72 3.19 55.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.93 -35.19 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -133.55 37.36 3.31 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.911 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.583 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -56.02 130.01 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.946 176.031 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.96 100.59 13.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 75.3 m-85 -73.88 1.26 11.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -89.88 -54.12 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.821 0.343 . . . . 0.0 110.165 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.88 -31.33 66.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.945 0.402 . . . . 0.0 110.596 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 102' ' ' ILE . 8.8 tt -55.53 -30.99 61.71 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.513 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 81.7 mm-40 -61.9 -37.95 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.212 -177.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.47 -5.45 60.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.767 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 62' ' ' LYS . 92.0 mt -100.52 -80.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 m -81.79 -42.99 18.95 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.41 -48.8 1.53 Allowed Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 113.657 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.568 HD13 HD21 ' A' ' 96' ' ' LEU . 3.9 mp 61.71 78.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.998 0.904 . . . . 0.0 109.383 -174.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -87.56 26.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.461 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.7 t -85.64 -36.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.6 t -155.5 100.67 2.13 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.256 -1.338 . . . . 0.0 108.0 171.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -60.39 -30.09 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.385 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.51 -29.84 62.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.505 ' OD1' ' HG2' ' A' ' 117' ' ' GLN . 21.6 t0 -64.52 -48.64 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.44 -18.87 65.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 61.1 mttm -97.35 -11.2 24.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.47 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.79 -56.44 2.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.365 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 150.05 105.41 0.33 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.642 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.67 104.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.193 0.52 . . . . 0.0 111.188 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.4 p -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.939 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -70.05 -37.01 75.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.919 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.09 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.505 ' HG2' ' OD1' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -66.34 -61.87 1.77 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.097 174.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 13.4 mmt -46.3 -39.9 10.83 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.36 -60.58 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.955 0.407 . . . . 0.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.05 -32.45 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 111.577 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.6 t -71.51 -45.56 67.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.621 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -67.47 -36.38 81.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.824 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -67.84 -30.79 70.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.08 -31.81 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.007 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.21 -12.98 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.159 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.33 27.91 34.96 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.061 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.621 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.0 m-85 -83.78 143.88 29.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 0.0 110.381 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -107.82 128.87 54.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.31 0.576 . . . . 0.0 110.785 -177.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -91.14 127.5 36.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.424 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -84.24 -33.2 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.788 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 28.0 ttmt 72.67 7.85 5.57 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.636 171.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.459 HD21 ' HE2' ' A' ' 9' ' ' LYS . 11.2 mt 63.59 35.12 11.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 133' ' ' GLU . 7.6 pt-20 -71.48 109.41 5.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.713 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -81.52 99.11 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.42 112.64 25.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -171.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -98.36 108.96 21.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -79.29 111.13 15.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -81.54 -29.15 33.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.202 178.197 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.72 129.06 1.08 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.413 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -92.22 21.7 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.023 0.44 . . . . 0.0 110.296 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.01 -26.15 63.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.402 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HG2' ' HE2' ' A' ' 26' ' ' LYS . 43.7 mt-10 -81.73 109.46 16.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.551 ' OE2' ' HE3' ' A' ' 8' ' ' LYS . 34.4 tt0 -97.56 139.1 33.97 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.141 -173.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 m -101.6 114.16 27.95 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.936 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HE3' ' OE2' ' A' ' 6' ' ' GLU . 19.5 mmtp -112.78 94.44 4.91 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.394 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 22.6 ttmm -88.83 144.3 26.32 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 8.6 p90 -131.66 143.06 50.02 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 168.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.8 p -120.77 106.2 11.46 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.799 -175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.03 110.98 22.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.977 0.418 . . . . 0.0 110.593 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -94.05 89.45 6.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -110.38 105.23 14.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.491 0.663 . . . . 0.0 111.349 -177.684 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.5 57.05 6.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.38 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 79.8 -15.28 15.42 Favored Glycine 0 CA--C 1.517 0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.856 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 14' ' ' LEU . 20.7 m -93.55 105.59 17.63 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.358 -0.495 . . . . 0.0 110.363 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 8.6 mt-10 -89.76 96.04 10.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.543 HG12 HG23 ' A' ' 37' ' ' THR . 40.1 mt -91.25 103.63 14.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.33 0.586 . . . . 0.0 109.793 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -108.68 99.58 8.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.048 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.685 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 66.5 mt -98.52 120.22 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.093 0.473 . . . . 0.0 110.47 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 7.0 m -98.73 103.73 15.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.318 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.657 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 41.4 t -96.15 101.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 169.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.9 p90 -114.46 155.6 26.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.843 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 39.6 ttmt -133.87 108.3 8.36 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.768 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.56 -118.52 4.68 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -171.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.31 -8.18 13.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.103 0.452 . . . . 0.0 111.82 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' A' ' 31' ' ' LEU . 22.9 ttmt -99.51 133.7 43.46 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.264 177.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 24.3 t -79.75 101.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.7 mt -80.49 -26.01 38.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.609 -171.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 68.7 mttm -136.47 117.06 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.632 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -108.12 102.06 11.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.627 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 53.2 m -85.29 102.67 13.56 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 22.8 t -97.56 92.77 6.07 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.77 96.33 7.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.783 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.543 HG23 HG12 ' A' ' 19' ' ' ILE . 87.8 m -94.54 107.7 19.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.146 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 81' ' ' GLN . 34.9 ttmt -92.32 103.01 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.944 0.402 . . . . 0.0 110.528 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -100.4 124.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 25.7 mm-40 -73.07 153.15 40.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 175.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -59.59 -30.66 68.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 110.95 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 -25.01 63.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -83.09 -38.78 22.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.946 0.403 . . . . 0.0 110.78 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.1 tt -85.96 -27.97 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.02 46.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.163 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.571 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -90.87 128.52 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.605 0.24 . . . . 0.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 m -69.12 -44.47 72.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -132.97 -179.34 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.78 -34.11 73.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.5 -49.86 75.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.549 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.85 -36.79 85.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.691 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.08 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.92 -38.67 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -58.48 -25.5 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.7 m -94.02 -41.38 9.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.715 0.293 . . . . 0.0 111.284 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -82.19 -37.31 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -171.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 29.3 mt-10 -56.84 -53.18 67.63 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.765 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.3 Cg_endo -67.62 -16.41 46.76 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.742 1.628 . . . . 0.0 112.463 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.39 -41.74 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.5 m -63.46 -28.25 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.32 0.581 . . . . 0.0 110.016 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.47 -10.45 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.542 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -72.85 -23.83 60.8 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.036 0.446 . . . . 0.0 109.81 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.715 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.4 m-85 -79.65 -57.35 3.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 56.4 tttm 59.07 -93.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.127 174.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' OD1' ' HG2' ' A' ' 64' ' ' LYS . 21.9 m120 -139.7 39.09 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.344 0.127 . . . . 0.0 111.344 -175.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.715 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.4 mt -57.79 -40.04 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.571 0.7 . . . . 0.0 110.363 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 91' ' ' VAL . . . -168.49 -147.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.426 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.09 43.41 2.23 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.058 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.1 m -82.48 99.05 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.926 0.869 . . . . 0.0 110.564 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 9.6 tp10 -100.1 108.01 20.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.106 -175.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.85 108.04 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.244 0.545 . . . . 0.0 110.891 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 65.5 tttm -108.65 103.52 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.074 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.12 115.42 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.1 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -107.7 108.99 20.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 67.8 m-85 -97.57 102.23 13.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 m -88.45 -40.82 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.746 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -174.75 -79.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.962 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 78' ' ' THR . 16.3 m -115.81 19.67 15.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.414 1.102 . . . . 0.0 109.434 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.13 156.56 37.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.629 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.54 124.65 36.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.135 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.642 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 27.0 tt0 -102.44 120.14 40.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.196 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -83.63 94.6 8.13 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 49.1 t-20 -78.56 91.5 4.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.25 130.61 44.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.964 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 4.1 m -112.59 102.97 11.02 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -99.8 109.44 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.767 0.318 . . . . 0.0 110.75 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.9 t70 -86.11 111.67 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.7 mmt -83.17 3.92 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.221 -171.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.66 -11.22 40.47 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.922 0.391 . . . . 0.0 110.477 176.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -130.63 -0.33 4.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.573 -176.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -57.63 129.17 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -174.216 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.82 107.39 19.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.296 -0.865 . . . . 0.0 108.976 168.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 96.4 m-85 -72.08 -11.91 60.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.389 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.1 -42.54 69.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.041 0.448 . . . . 0.0 110.045 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 -32.22 43.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.192 0.52 . . . . 0.0 110.433 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -68.72 -17.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.76 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -57.22 -31.31 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.55 -47.48 5.12 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.919 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 66' ' ' ILE . 10.1 pt -116.26 95.84 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.196 0.522 . . . . 0.0 110.776 178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 13.1 m -102.17 -35.21 8.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.082 0.468 . . . . 0.0 110.777 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.96 -5.63 78.49 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.39 104.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -98.26 29.55 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.115 0.483 . . . . 0.0 110.917 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 121' ' ' VAL . 34.6 t -102.84 -81.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.922 177.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.462 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 18.9 m -129.76 128.21 41.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.65 59.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.47 -32.69 71.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.856 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.462 ' OD2' ' HB2' ' A' ' 105' ' ' SER . 14.0 m-20 -73.08 -34.29 66.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.63 72.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.065 0.46 . . . . 0.0 110.463 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.6 4.36 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 111' ' ' LYS . 34.6 ttmt -101.94 -39.37 7.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.834 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.04 108.35 2.41 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -75.04 112.44 12.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.471 0.653 . . . . 0.0 111.875 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 p -107.29 172.28 6.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.098 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -76.0 -31.1 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.563 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.63 85.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.763 174.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.425 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 1.5 tp60 -56.74 -64.56 0.83 Allowed 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.645 171.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.69 ' O ' ' HG2' ' A' ' 122' ' ' MET . 17.6 mmt -51.17 -46.77 62.19 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -55.05 -58.98 5.45 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.186 0.517 . . . . 0.0 111.343 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 0.0 111.524 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 4.0 t -76.68 -33.17 21.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.571 -174.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG2' ' O ' ' A' ' 118' ' ' MET . 30.9 mmt -66.73 -40.41 88.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.54 -30.43 71.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.903 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.91 50.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.481 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.73 -12.12 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.167 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 43.88 14.44 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.01 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.403 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 25.5 m-85 -80.89 151.35 28.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.765 0.317 . . . . 0.0 110.541 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -94.55 111.46 23.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 134.4 45.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.606 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.553 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 90.4 t -133.37 78.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.158 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -63.97 147.04 52.98 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.178 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.86 164.16 26.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.595 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.27 152.76 32.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.567 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -83.65 40.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -79.06 -10.85 59.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.521 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -98.74 -67.64 0.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -99.07 94.66 6.64 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -80.18 52.0 1.49 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.269 0.557 . . . . 0.0 111.908 -173.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 67.3 t60 . . . . . 0 C--O 1.247 0.966 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.189 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.86 -63.87 0.51 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.682 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 3.5 m-20 -82.35 97.7 8.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.755 0.312 . . . . 0.0 110.595 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -118.16 127.66 53.97 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 2.2 mp0 -44.06 126.91 5.2 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.062 0.851 . . . . 0.0 112.022 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -100.79 129.84 46.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.196 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -104.77 131.36 52.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.807 0.337 . . . . 0.0 111.689 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 60.2 tttt -139.13 127.54 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HD3' ' OG1' ' A' ' 22' ' ' THR . 36.2 ttpt -117.41 142.91 46.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.638 0.256 . . . . 0.0 110.82 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 16.0 p90 -130.12 148.62 51.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t -137.86 115.46 11.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.226 0.536 . . . . 0.0 110.428 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.75 112.95 18.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.531 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -86.98 109.31 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 pp -125.68 122.52 36.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 71.13 -39.86 0.46 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.6 0.76 . . . . 0.0 112.108 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.682 ' HA3' ' HB3' ' A' ' 43' ' ' SER . . . 158.43 -13.89 0.24 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 -176.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 HG22 HG13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -87.29 108.15 18.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.206 173.272 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 6.6 mt-10 -87.83 95.81 10.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.486 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.554 HG12 HG23 ' A' ' 37' ' ' THR . 63.6 mt -96.49 107.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -175.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.54 104.27 11.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.362 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 76.4 mt -100.43 113.05 34.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.559 -177.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 23.8 m -92.08 93.72 8.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' ' HD3' ' A' ' 8' ' ' LYS . 46.4 p90 -102.98 136.0 43.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.629 0.728 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 94.3 t -105.29 118.11 52.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 33.2 p90 -112.04 167.87 10.05 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.682 ' HE2' ' HB3' ' A' ' 3' ' ' ASP . 70.1 tttt -143.92 93.36 2.44 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.27 -115.62 4.07 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.485 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -103.17 -6.22 22.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.024 0.412 . . . . 0.0 111.694 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HD3' HD21 ' A' ' 31' ' ' LEU . 76.0 tttt -109.84 134.13 52.39 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.813 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.9 t -80.48 123.9 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 168.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD21 ' HD3' ' A' ' 29' ' ' LYS . 78.4 mt -106.86 -14.02 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -150.58 139.64 21.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -128.68 105.33 8.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -94.16 96.48 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 21' ' ' ILE . 7.6 p -97.24 94.54 7.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.43 0.633 . . . . 0.0 110.47 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.76 111.63 23.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.113 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -109.02 113.36 26.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.218 0.532 . . . . 0.0 110.564 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 42.9 tttm -94.83 98.4 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.891 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.526 HG13 HG22 ' A' ' 17' ' ' THR . 4.0 mp -94.47 114.82 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.516 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.8 147.61 53.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HA ' HG22 ' A' ' 44' ' ' ILE . 8.7 m-30 -64.07 -20.77 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.985 179.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.48 -28.16 60.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.682 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 11.2 p -91.33 -31.24 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 0.0 111.502 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' HB ' HG21 ' A' ' 39' ' ' ILE . 9.3 tt -81.51 -30.64 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 26.68 22.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.667 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -91.19 136.01 33.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.389 . . . . 0.0 110.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -102.96 -11.41 18.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -155.93 159.33 39.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.621 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 75' ' ' TYR . 36.7 ttpt -54.53 -56.57 17.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.623 0.249 . . . . 0.0 111.378 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -31.63 72.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.22 0.533 . . . . 0.0 110.378 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.12 -41.75 97.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.491 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.27 90.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.312 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.87 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.885 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.18 -20.58 55.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.639 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -98.85 -34.05 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.51 HD12 ' HE1' ' A' ' 75' ' ' TYR . 95.6 mt -87.14 -33.58 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -175.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.81 -52.65 65.73 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 -8.57 23.19 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.749 1.632 . . . . 0.0 112.54 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tt -90.7 -54.85 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.654 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 m -65.07 -25.16 67.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.832 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.78 -10.09 49.73 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.591 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.84 -23.59 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.38 22.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.668 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.75 90.0 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.421 0.688 . . . . 0.0 111.791 -177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 48.23 47.05 19.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.2 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.8 -48.15 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 122.044 0.926 . . . . 0.0 109.081 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . . . -151.89 -152.77 0.44 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.12 -1.4 . . . . 0.0 107.731 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.45 53.16 3.15 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.429 -1.069 . . . . 0.0 110.429 171.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 86' ' ' ILE . 17.0 m -89.38 108.05 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.432 0.634 . . . . 0.0 111.092 -173.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 8.3 mm-40 -93.83 116.02 28.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.28 177.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 115.34 30.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 0.0 110.686 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.5 mptp? -115.3 99.83 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.01 0.433 . . . . 0.0 111.053 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.87 98.81 9.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.681 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.7 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 78.0 p -102.86 119.79 39.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.077 0.465 . . . . 0.0 110.587 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HE1' HD12 ' A' ' 56' ' ' LEU . 44.6 m-85 -107.25 103.09 12.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.84 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -79.17 -69.77 0.55 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -161.49 -53.35 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.968 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -121.01 9.64 10.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -154.25 154.44 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.964 0.412 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.57 118.02 31.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.506 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.7 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 53.6 tt0 -98.08 100.42 11.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -86.45 92.6 8.9 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -85.9 102.88 14.12 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.15 142.02 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.056 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 19.3 m -131.56 100.16 5.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.4 136.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.064 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -90.57 136.17 33.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.116 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.2 mmm -96.12 23.92 6.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.386 0.612 . . . . 0.0 109.987 -174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.22 -45.58 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.953 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 75.4 tttt -97.85 3.93 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.18 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -48.55 110.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.113 0.482 . . . . 0.0 112.203 -179.126 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -87.56 98.77 11.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.453 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 56.0 m-85 -71.7 -15.43 62.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.351 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' C ' ' HD3' ' A' ' 94' ' ' LYS . 7.8 tmtm? -73.63 -44.59 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.22 81.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.011 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 2.0 mt -64.39 -23.19 67.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.409 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.11 -40.54 58.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.67 0.388 . . . . 0.0 111.61 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.26 3.88 69.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.962 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.3 mt -127.19 8.77 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 121.342 0.592 . . . . 0.0 110.676 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.6 m -71.7 99.9 2.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.038 0.446 . . . . 0.0 111.101 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.9 13.9 65.68 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.111 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.529 ' H ' HD12 ' A' ' 102' ' ' ILE . 4.4 mp -79.95 83.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -81.34 67.61 7.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.771 . . . . 0.0 110.737 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.478 HG11 HG13 ' A' ' 121' ' ' VAL . 48.5 t -128.54 -45.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 172.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -165.73 112.77 0.92 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.878 172.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -68.35 -28.56 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.359 0.6 . . . . 0.0 109.684 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.695 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 8.8 mp0 -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -42.48 27.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.25 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.695 ' HD2' ' HA ' ' A' ' 107' ' ' GLU . 94.7 mttt -60.7 -32.56 71.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.691 176.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' LYS . 48.4 tptt -92.88 8.53 39.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.7 157.48 22.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.447 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.2 mm -110.04 129.83 64.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 111.208 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -127.59 172.04 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.52 -33.12 66.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.039 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.55 87.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.323 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.37 -62.33 1.67 Allowed 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.687 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.561 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -47.36 -36.23 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.203 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -61.71 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.784 0.326 . . . . 0.0 111.397 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -51.78 66.23 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.513 0.673 . . . . 0.0 111.322 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.478 HG13 HG11 ' A' ' 104' ' ' VAL . 15.3 t -55.7 -43.92 75.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.906 -177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.644 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -69.36 -36.96 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.045 -0.409 . . . . 0.0 111.057 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.14 -23.13 61.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.201 0.524 . . . . 0.0 110.193 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -45.16 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.374 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.57 -25.27 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.153 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.05 25.16 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.295 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 10.5 m-85 -75.08 150.09 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.016 0.436 . . . . 0.0 110.114 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -98.35 95.25 7.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.803 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.02 124.12 22.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.494 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.3 t -107.01 90.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 133' ' ' GLU . 14.4 ptpt -80.7 103.81 10.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.485 0.659 . . . . 0.0 110.474 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.895 HD23 ' H ' ' A' ' 132' ' ' LEU . 1.7 pt? -83.53 47.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.134 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 131' ' ' LYS . 4.7 pt-20 -108.07 173.75 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.529 0.681 . . . . 0.0 111.954 -174.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -159.32 119.46 3.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 170.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.43 132.54 51.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 110.581 -178.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -77.49 88.81 3.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.265 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -149.77 82.49 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.247 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -157.96 27.88 0.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.904 -179.104 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.89 0.376 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.76 -117.81 2.5 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.766 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -89.03 -170.23 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -88.72 147.88 24.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -178.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 -107.36 112.74 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.49 . . . . 0.0 111.015 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.1 mm-40 -107.7 154.2 21.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.595 -176.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -118.91 118.42 31.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.71 0.29 . . . . 0.0 111.438 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 41.2 ttmt -113.16 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 58.8 tttp -97.91 141.1 31.3 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.2 p90 -130.65 153.2 49.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 51.9 p -135.3 133.01 38.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.147 0.499 . . . . 0.0 111.003 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.88 105.93 5.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.983 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 41.8 t-20 -83.04 102.55 11.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -116.73 112.68 21.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.64 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 64.99 21.01 12.25 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.346 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.37 -10.12 57.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.925 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.559 HG23 HG12 ' A' ' 39' ' ' ILE . 44.8 m -92.75 102.08 14.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.8 mt-10 -84.61 102.86 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.53 HG12 HG22 ' A' ' 37' ' ' THR . 27.3 mt -90.68 105.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -112.71 92.73 4.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.444 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.69 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 50.7 mt -93.71 116.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.224 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 3.1 m -102.14 96.6 7.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.315 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 36.3 p90 -99.69 130.59 45.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.708 0.766 . . . . 0.0 111.447 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 t -96.3 122.77 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.812 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -121.88 148.98 44.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.377 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 31' ' ' LEU . 34.4 mtpt -126.42 101.91 6.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.31 -115.82 4.11 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -170.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.68 8.12 12.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 110.547 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' HG ' ' A' ' 31' ' ' LEU . 12.8 ttmt -100.31 139.19 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG12 ' SD ' ' A' ' 88' ' ' MET . 11.7 t -98.3 123.57 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 26' ' ' LYS . 5.8 mp -109.7 -19.42 13.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -170.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.523 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 97.5 mttt -139.14 118.1 12.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.62 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 52.6 tt0 -107.2 92.41 4.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -86.65 99.79 11.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.164 0.507 . . . . 0.0 109.706 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 21' ' ' ILE . 20.6 p -97.32 96.86 8.67 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 28.7 tt0 -107.64 104.68 14.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.0 -175.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.53 HG22 HG12 ' A' ' 19' ' ' ILE . 1.4 p -96.56 112.79 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.657 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 54.3 tttm -87.57 86.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.565 0.698 . . . . 0.0 109.403 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.559 HG12 HG23 ' A' ' 17' ' ' THR . 47.6 mt -86.86 113.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.297 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 79' ' ' TYR . 12.8 mm100 -72.79 144.69 47.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 4.5 m-30 -61.72 -21.43 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.37 71.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.205 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -75.74 -43.75 45.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.2 tt -75.34 -30.07 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.31 34.58 7.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.785 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.602 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -122.6 162.11 22.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -128.29 -32.47 2.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.352 0.596 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.463 ' HB ' ' OE2' ' A' ' 50' ' ' GLU . 1.8 p -93.32 147.88 22.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.939 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -61.84 -42.66 99.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.985 -173.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 1.3 pm0 -79.91 -19.73 47.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.542 -175.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -77.91 -22.46 49.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.512 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 -38.09 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.573 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -58.76 -38.98 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.273 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 63.7 mttp -51.53 -34.77 37.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.626 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.5 ' HB ' HD11 ' A' ' 44' ' ' ILE . 10.6 m -96.77 -33.55 11.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.833 -175.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 71.9 mt -89.35 -26.28 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 43.9 mt-10 -60.12 -50.88 84.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 O-C-N 122.012 -0.43 . . . . 0.0 111.642 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 37.9 Cg_endo -68.53 -9.75 26.99 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.188 1.925 . . . . 0.0 112.269 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 24.5 tp -76.0 -52.89 9.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -66.31 -33.08 74.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.159 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.9 -2.59 2.71 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.582 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -80.86 -15.69 55.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.7 m-85 -85.7 -57.71 2.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? 55.01 48.84 18.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.55 171.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 50.77 59.65 4.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.332 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.9 mt -58.57 -41.13 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 111.08 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -148.17 -91.57 0.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.279 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.2 7.29 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 86' ' ' ILE . 9.3 m -86.9 110.33 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.68 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -106.83 112.44 25.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.75 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.85 129.05 40.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.52 103.65 5.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 111.762 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 46.5 mt -81.12 107.09 13.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 29.4 p -105.5 109.17 21.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 71.8 m-85 -91.68 126.59 36.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.19 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.6 m -97.06 -60.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.491 . . . . 0.0 110.451 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -179.31 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.324 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 m -93.12 -0.38 57.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.68 0.752 . . . . 0.0 110.32 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 p90 -159.67 161.62 34.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.582 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.94 132.3 47.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.944 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 22.6 mt-30 -103.14 115.36 30.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 8.6 tp10 -92.06 108.42 19.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -98.38 100.53 11.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.715 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 82' ' ' GLU . 53.8 t -104.91 113.07 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.178 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 7.2 m -97.62 104.5 16.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' ' 69' ' ' VAL . 70.4 mt -94.35 108.91 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t70 -72.5 112.94 9.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.62 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 53.8 mtp -95.23 25.07 4.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -113.15 -36.19 5.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.42 0.629 . . . . 0.0 109.679 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 7.3 tmtt? -106.87 9.28 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.399 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -54.93 140.29 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -176.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.18 102.9 13.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.988 -1.005 . . . . 0.0 108.571 169.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 70.2 m-85 -71.35 -17.82 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -174.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 28.1 ttpt -57.65 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.48 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.589 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 14.5 tp -58.38 -34.84 71.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.63 -27.56 66.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.393 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.75 4.83 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.565 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.85 -42.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m 64.85 -73.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.957 0.903 . . . . 0.0 112.421 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.72 9.43 86.82 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.458 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.44 131.67 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.01 84.58 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.081 0.467 . . . . 0.0 110.035 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.492 HG22 ' H ' ' A' ' 105' ' ' SER . 7.6 p -170.15 171.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.085 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.492 ' H ' HG22 ' A' ' 104' ' ' VAL . 45.6 m -73.15 142.1 47.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -63.54 -21.81 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -55.23 -39.87 70.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.624 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.46 -33.77 71.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.325 0.583 . . . . 0.0 109.961 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -34.76 62.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.231 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 99.4 mttt -60.57 -34.09 73.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -93.75 7.61 44.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.837 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.41 134.06 8.25 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.953 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 117' ' ' GLN . 48.8 mm -103.88 126.71 58.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.757 0.313 . . . . 0.0 110.439 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -121.51 -171.99 2.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.471 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 15.3 tpt -65.88 -35.71 81.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.25 86.74 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.486 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' A' ' 113' ' ' ILE . 4.7 mp0 -56.0 -73.81 0.05 Allowed 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 25.9 mmt -38.73 -49.11 1.57 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 115' ' ' MET . 16.7 mm-40 -57.09 -54.09 50.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.002 0.43 . . . . 0.0 111.193 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.89 -30.44 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.183 0.516 . . . . 0.0 111.675 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.94 -39.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.025 -173.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.695 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -73.1 -33.8 65.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 177.149 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.91 -35.63 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -44.0 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.984 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.04 -27.21 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.6 43.09 3.0 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.071 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.695 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 23.5 m-85 -103.65 139.89 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -103.09 144.76 30.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 142.03 32.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.256 0.55 . . . . 0.0 110.699 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.6 t -111.58 88.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 33.3 ttmt -78.34 94.25 4.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.428 -176.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 132' ' ' LEU . 1.5 pt? -57.82 121.5 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -176.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 67.05 90.3 0.1 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.022 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -76.98 93.78 3.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.478 173.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -85.33 132.47 34.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -129.05 134.96 48.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -95.98 -56.36 2.68 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -162.51 -72.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.3 p80 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.379 173.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.438 0.161 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.497 ' HA3' ' HG3' ' A' ' 6' ' ' GLU . . . -114.44 -175.57 18.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.164 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -155.96 -50.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -136.03 110.8 8.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.077 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 54.24 80.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.948 0.78 . . . . 0.0 111.344 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HG3' ' HA3' ' A' ' 2' ' ' GLY . 60.5 mm-40 -97.54 124.12 41.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.441 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -96.26 118.39 32.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.231 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -113.16 119.25 37.16 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 44.4 tttp -115.15 146.28 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.798 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.3 p90 -146.51 155.82 42.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 48.2 t -148.01 122.53 9.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.123 0.487 . . . . 0.0 110.352 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.29 119.1 30.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.176 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -79.69 94.31 5.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -81.51 69.55 8.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.6 t30 71.38 -55.35 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.044 0.938 . . . . 0.0 111.362 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.52 -39.93 0.19 Allowed Glycine 0 C--N 1.314 -0.677 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.213 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 HG13 ' A' ' 39' ' ' ILE . 3.8 p -81.08 110.96 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.017 0.437 . . . . 0.0 111.295 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.9 mt-10 -85.16 94.62 8.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 11' ' ' SER . 44.8 mt -93.24 102.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -111.74 102.98 11.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.452 0.644 . . . . 0.0 109.758 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.666 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 61.6 mt -98.16 127.66 50.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 m -114.74 93.77 4.47 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.363 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.872 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 4.6 p90 -101.55 114.36 28.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 111.384 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -85.98 120.35 35.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.921 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -112.49 155.86 23.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -123.1 96.2 4.91 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.53 -116.12 4.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.078 -174.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.44 -12.96 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.994 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -97.67 122.91 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.129 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.64 126.18 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -110.29 -61.99 1.58 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -112.51 116.57 30.46 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.63 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.872 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 28.3 tt0 -113.32 98.87 7.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 p -85.62 103.51 14.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.592 0.711 . . . . 0.0 110.144 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.52 ' HA ' HG12 ' A' ' 21' ' ' ILE . 8.2 m -97.99 96.99 8.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.581 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -99.12 109.16 21.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.45 HG23 HG12 ' A' ' 19' ' ' ILE . 26.5 m -99.7 114.02 26.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.306 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 38.7 tttm -102.17 114.61 28.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.497 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 17' ' ' THR . 3.5 mp -115.21 129.49 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.391 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -81.82 156.41 24.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -61.01 -30.55 70.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.585 0.231 . . . . 0.0 111.474 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.53 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 111.245 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -81.99 -38.97 24.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 46' ' ' ALA . 10.4 tt -81.0 -33.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.978 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.04 15.76 53.04 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.169 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -87.42 131.62 34.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 110.632 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 -14.36 38.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.247 0.546 . . . . 0.0 110.575 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.579 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 32.0 p -140.97 161.89 36.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.789 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -76.98 -19.71 56.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 24.4 mp0 -66.08 -48.59 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.166 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -72.63 -25.06 61.15 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.564 176.037 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.45 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.88 83.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.187 0.518 . . . . 0.0 110.083 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 51' ' ' ASP . 54.4 tttt -51.4 -30.37 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.796 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.6 m -92.16 -41.4 10.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.7 mt -84.68 -39.28 18.75 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 49.6 mt-10 -49.53 -53.03 44.91 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -175.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.8 Cg_endo -61.31 -16.08 44.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.197 1.932 . . . . 0.0 113.093 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.81 -46.6 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.364 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -64.63 -32.56 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.312 0.577 . . . . 0.0 110.097 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.82 -4.66 21.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 28.4 mtpp -72.54 -28.0 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.656 ' O ' HG13 ' A' ' 66' ' ' ILE . 91.2 m-85 -76.07 -37.76 57.85 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 171.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 43.1 tttm 57.57 -92.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.342 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.41 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 64.2 t30 -172.03 37.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 63' ' ' TYR . 22.2 mt -50.03 -37.91 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.442 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -151.04 -146.01 0.19 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 30.0 1.29 Allowed Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.978 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.788 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.4 m -86.3 102.49 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 110.478 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -93.63 140.79 29.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.495 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 93.77 4.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.624 0.726 . . . . 0.0 110.054 172.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 4.5 ttmp? -100.35 96.95 7.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.371 0.605 . . . . 0.0 109.711 -176.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -86.65 110.59 19.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.467 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.558 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 17.4 p -101.63 109.14 20.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.466 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -94.06 105.67 17.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.208 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.2 m -110.4 146.9 35.03 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.99 -7.9 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 111.724 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -104.48 -30.27 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.862 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -161.92 151.61 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.27 117.6 31.59 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 36.6 tt0 -104.97 120.03 40.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 110.574 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -87.34 91.72 8.82 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 15.4 t-20 -81.1 104.01 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.377 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -108.4 133.44 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.922 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 49.2 m -109.3 107.97 18.38 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.41 HD12 HE21 ' A' ' 33' ' ' GLN . 59.2 mt -99.79 99.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 32.7 t0 -93.37 111.3 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.033 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.6 mmt -80.23 6.96 10.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.484 -168.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' OE2' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -101.86 1.31 36.87 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.296 -174.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HB2' ' OE2' ' A' ' 89' ' ' GLU . 82.6 tttt -143.96 3.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.712 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -67.7 148.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -115.91 104.43 11.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.648 168.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -66.32 -19.85 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.26 -35.85 78.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.71 -25.57 19.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.423 . . . . 0.0 110.83 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 96' ' ' LEU . 3.6 tt -66.39 -32.27 73.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.652 ' HA ' ' HA2' ' A' ' 101' ' ' GLY . 13.3 pt20 -65.66 -24.5 67.03 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.603 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.0 -19.21 75.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.41 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.413 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 37.4 mt -85.98 -76.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.404 0.621 . . . . 0.0 110.057 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.8 t -119.85 -33.68 3.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.587 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.652 ' HA2' ' HA ' ' A' ' 97' ' ' GLN . . . 65.29 5.9 24.07 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.24 -171.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 109' ' ' ALA . 67.8 mt 58.55 84.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.612 0.72 . . . . 0.0 109.554 -173.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -78.24 29.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.802 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 102' ' ' ILE . 46.3 t -101.81 -36.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 171.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 p -175.32 108.38 0.1 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.431 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.77 -26.32 68.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.504 . . . . 0.0 110.146 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 11.7 tp10 -52.14 -38.62 58.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.07 175.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.54 -44.85 70.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -172.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.647 ' HB2' HD12 ' A' ' 102' ' ' ILE . . . -65.65 -34.13 77.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.545 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -77.72 -15.15 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.827 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.415 ' HE2' ' HG3' ' A' ' 107' ' ' GLU . 53.6 mtmt -95.63 -30.79 13.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.424 . . . . 0.0 111.054 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.95 120.41 4.36 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.39 119.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 0.0 112.234 -171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.8 p -122.3 172.3 8.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.4 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 22.4 tpp -68.62 -40.85 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.338 -0.145 . . . . 0.0 110.796 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.9 -45.46 67.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.136 0.494 . . . . 0.0 110.292 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.64 -63.3 1.21 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.811 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.4 mmt -49.5 -28.45 5.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.45 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.792 0.33 . . . . 0.0 111.319 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.4 -30.18 68.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.15 -43.69 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.87 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.91 -32.57 67.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.651 178.305 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.81 -22.51 59.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.308 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.93 64.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.432 175.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.01 -26.79 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.92 32.18 11.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.089 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.593 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.0 m-85 -76.3 152.24 36.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.024 0.44 . . . . 0.0 111.19 -178.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -92.23 112.54 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.272 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -70.22 136.9 50.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.0 110.861 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.651 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 39.5 t -126.98 83.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.41 121.07 15.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.838 ' H ' HD12 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -72.52 102.42 3.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -172.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -99.93 10.16 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.249 0.547 . . . . 0.0 109.985 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.85 144.32 50.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.182 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -100.5 158.11 16.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -101.28 -11.8 19.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.985 0.422 . . . . 0.0 110.787 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -78.64 117.68 20.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.194 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -148.7 168.38 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 62.3 m80 . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.295 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.59 87.71 0.44 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.678 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.67 -74.19 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.019 0.438 . . . . 0.0 110.157 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 98.4 mttt -117.67 138.66 51.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 171.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 63.5 -173.49 0.16 Allowed 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.885 0.74 . . . . 0.0 109.084 -165.506 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 9.6 tp10 -139.15 142.77 37.99 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.952 -0.467 . . . . 0.0 110.499 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.1 p -116.92 119.24 34.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.321 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -112.98 112.31 23.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.36 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -101.92 137.96 39.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.214 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p90 -144.54 162.07 37.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 171.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' HG21 ' A' ' 130' ' ' VAL . 52.2 p -154.42 121.67 5.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.43 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.42 114.48 22.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -90.88 104.96 17.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.671 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.42 24.93 2.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.026 0.441 . . . . 0.0 110.397 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 59.26 91.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.111 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 -35.38 4.13 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 16.2 p -128.04 131.5 49.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.758 0.313 . . . . 0.0 110.992 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 18.6 mt-10 -103.03 107.64 18.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.2 mt -99.1 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.109 0.481 . . . . 0.0 110.044 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.15 114.9 25.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.318 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.52 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 36.7 mt -113.11 129.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -112.8 107.43 16.05 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.44 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' SER . 60.9 m-85 -87.45 111.26 20.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.899 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 96.3 t -96.26 103.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 52.5 p90 -122.93 153.21 40.0 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.481 -173.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 17.9 ttmm -114.48 91.1 3.51 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.76 -116.12 5.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.649 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -84.79 -23.71 29.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.472 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 107.8 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.543 -171.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 48.5 t -76.49 119.07 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -102.35 -35.76 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.919 -173.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 66.7 mttm -129.21 117.58 20.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.011 0.434 . . . . 0.0 110.944 177.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -107.55 101.32 10.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 29.0 m -88.11 91.36 8.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.769 176.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -108.16 101.9 11.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CD ' HE21 ' A' ' 81' ' ' GLN . 11.1 tt0 -101.52 136.52 41.23 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.521 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 m -119.64 100.69 7.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 0.0 109.851 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.5 ttmp? -82.27 108.34 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.483 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 50.0 mt -99.82 126.27 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.314 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -78.56 155.11 29.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -74.83 60.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 110.857 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.9 -44.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 m -78.97 -7.42 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.766 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.676 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.0 tt -106.93 -26.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.588 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.34 8.56 87.49 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.783 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.676 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -72.02 121.92 19.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 m -71.03 -48.09 54.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 168.59 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -64.46 -25.63 68.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.051 0.453 . . . . 0.0 109.844 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.45 -48.37 79.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.752 173.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 31.7 m-20 -62.91 -34.57 77.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.39 36.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.613 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.28 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.685 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 16.4 ttpt -56.72 -28.13 60.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.29 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 m -99.22 -38.34 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.821 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -87.61 -30.83 20.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 36.2 mt-10 -58.75 -50.0 90.39 Favored Pre-proline 0 CA--C 1.536 0.44 0 O-C-N 121.981 -0.45 . . . . 0.0 112.208 -177.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 28.2 Cg_endo -65.71 -13.34 39.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.885 1.723 . . . . 0.0 112.506 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 tt -91.94 -41.5 10.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.306 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -67.72 -22.71 65.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.08 -6.01 5.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.147 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG2' HG23 ' A' ' 99' ' ' ILE . 36.5 ttpt -60.04 -38.05 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.027 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.1 m-85 -84.57 -29.93 25.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.633 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 28.5 ttmt 59.48 -96.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 6.0 p30 -172.2 37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 63' ' ' TYR . 17.4 mt -47.35 -45.82 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.243 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -145.97 -145.47 0.17 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.453 -176.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 87' ' ' ASP . . . -78.12 36.91 1.73 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.614 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -93.95 100.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.262 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.58 121.13 40.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.295 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 96.62 7.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.398 0.618 . . . . 0.0 110.084 176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 58.0 mttp -99.92 101.54 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.952 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.35 107.28 16.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.654 173.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.0 p -110.48 115.48 29.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.22 0.534 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -104.66 117.45 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.483 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.9 m -110.52 -40.47 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -164.8 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.87 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 78' ' ' THR . 16.9 m -111.79 13.97 21.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.068 0.937 . . . . 0.0 109.634 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -143.67 147.99 35.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.745 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.07 124.99 45.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.143 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.598 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 47.7 mt-30 -98.19 114.68 26.99 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.348 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -85.29 84.07 7.78 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 34.3 t-20 -82.53 102.38 11.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.11 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.9 116.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.538 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 29.9 m -108.19 120.04 41.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.6 mt -113.22 108.38 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' CB ' ' HA3' ' A' ' 68' ' ' GLY . 4.6 t0 -84.53 109.0 17.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.54 16.06 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 1.43 21.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.26 0.552 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -135.8 -2.81 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.465 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.36 152.94 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 112.885 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -117.76 98.35 6.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.363 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -64.14 -20.75 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.381 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -66.05 -52.53 48.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.362 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.78 71.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.19 -22.22 66.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.692 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.36 -13.02 61.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.319 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.88 20.51 8.62 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.487 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.751 HG23 ' HG2' ' A' ' 62' ' ' LYS . 64.4 mt -129.84 -42.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.67 0.271 . . . . 0.0 111.636 -176.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.476 ' HB2' HG13 ' A' ' 102' ' ' ILE . 43.5 p -64.14 -53.66 46.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.278 0.561 . . . . 0.0 111.304 -176.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.28 26.24 60.0 Favored Glycine 0 C--N 1.317 -0.492 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.013 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.476 HG13 ' HB2' ' A' ' 100' ' ' SER . 61.0 mt -71.24 93.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.063 0.459 . . . . 0.0 110.036 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.84 28.39 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.752 0.787 . . . . 0.0 110.38 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 121' ' ' VAL . 43.6 t -84.92 -63.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -138.08 96.39 3.19 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.92 167.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -61.48 -35.31 77.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.137 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 12.5 pt-20 -68.84 -23.33 64.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.975 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.65 -35.75 67.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 -176.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.09 -17.16 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.15 0.5 . . . . 0.0 110.376 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 94.6 mttt -84.31 -40.3 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.118 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 107' ' ' GLU . 89.6 mttt -70.63 -39.3 73.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.24 135.51 3.69 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.9 mm -86.39 112.81 23.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.9 p -121.91 -173.9 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.214 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.494 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -66.16 -47.5 73.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 178.074 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.17 84.17 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.806 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.524 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -50.92 -64.8 0.7 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 174.549 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 122' ' ' MET . 19.0 mmt -54.79 -39.73 68.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.98 -58.78 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.46 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.88 0.848 . . . . 0.0 111.061 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.644 HG13 HG11 ' A' ' 104' ' ' VAL . 3.0 t -73.83 -43.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.921 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' MET . 16.5 mmt -75.27 -28.24 59.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 111.047 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.28 -31.62 69.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.34 81.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -25.15 53.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.54 45.33 6.16 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.236 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -96.73 176.04 6.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -124.79 136.78 54.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 111.089 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.36 146.98 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.166 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.531 HG21 ' OG ' ' A' ' 11' ' ' SER . 6.8 t -122.82 -35.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 56.37 -163.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.621 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.09 26.35 10.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.696 0.76 . . . . 0.0 109.588 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -120.02 146.07 46.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -0.66 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.26 160.56 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.736 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -107.89 163.38 13.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.701 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -87.48 112.91 22.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.841 0.353 . . . . 0.0 111.822 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -138.96 73.21 1.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 0.0 109.785 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.8 m80 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.217 176.369 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mmt . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 55.59 68.65 1.58 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -175.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -102.97 25.72 9.02 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -168.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -93.26 -19.72 21.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 165.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 42.8 mt-10 65.28 124.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.176 -167.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 5.0 mm-40 -97.15 116.05 28.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.336 0.589 . . . . 0.0 110.618 -164.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -101.6 112.77 25.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.783 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -113.15 117.76 32.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE2' ' OG1' ' A' ' 22' ' ' THR . 37.5 ttmt -105.07 146.53 28.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.33 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.7 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 17.1 p90 -129.7 145.75 51.51 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 167.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 24.6 t -146.54 131.63 18.31 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.506 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.87 24.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.892 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -86.14 108.54 18.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.839 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 mt -82.52 -161.08 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -55.94 -35.39 66.59 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.27 23.46 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 7.6 p -136.66 130.63 32.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.866 0.365 . . . . 0.0 111.295 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 21.3 mt-10 -95.08 103.91 15.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 11' ' ' SER . 37.4 mt -97.45 104.88 16.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.285 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.16 104.31 9.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.316 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 45.8 mt -106.79 115.67 48.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.693 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 ' OG1' ' HE2' ' A' ' 9' ' ' LYS . 10.4 m -100.24 94.22 6.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.727 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . 13.3 p90 -88.69 127.4 35.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.512 0.672 . . . . 0.0 110.427 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 57.7 t -102.04 115.22 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.106 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 22.9 p90 -116.14 155.07 28.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.931 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -127.65 97.77 4.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.53 -115.63 4.08 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -105.4 -25.8 12.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 0.0 109.471 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HD2' HD21 ' A' ' 31' ' ' LEU . 4.5 ttmp? -76.43 123.49 26.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.781 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 17.3 t -84.35 128.05 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 HD21 ' HD2' ' A' ' 29' ' ' LYS . 96.5 mt -113.07 -27.98 7.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 98.6 mttt -138.05 150.95 47.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 23' ' ' TYR . 36.6 tt0 -140.5 108.45 5.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -90.4 92.27 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HG12 ' A' ' 21' ' ' ILE . 18.5 m -97.8 94.13 6.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -94.61 127.56 40.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.08 0.467 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG12 ' A' ' 19' ' ' ILE . 40.1 m -118.79 112.77 20.14 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.331 174.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HG2' ' OE1' ' A' ' 40' ' ' GLN . 4.3 ttmp? -91.94 102.14 14.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.04 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 4.5 mp -90.65 113.07 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.003 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HG2' ' A' ' 38' ' ' LYS . 7.6 mm100 -73.62 153.51 40.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.53 64.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 110.807 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.07 -67.35 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.784 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 m -70.0 -25.53 63.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.4 tt -74.32 -24.62 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.68 77.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.317 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.783 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -102.05 152.43 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.46 0.172 . . . . 0.0 110.607 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -134.62 4.31 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.922 0.391 . . . . 0.0 111.614 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -151.0 156.05 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.19 -41.67 96.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.807 0.276 . . . . 0.0 111.387 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.24 -47.68 84.93 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.385 0.612 . . . . 0.0 109.553 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 46' ' ' ALA . 17.5 t70 -62.61 -37.94 88.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.56 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.817 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 75' ' ' TYR . . . -60.38 -43.46 96.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.197 0.522 . . . . 0.0 110.201 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -61.0 -15.68 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.257 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -98.83 -35.56 10.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HE1' ' A' ' 75' ' ' TYR . 71.6 mt -93.04 -25.41 17.95 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 4.8 mm-40 -53.75 -48.95 91.73 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.9 Cg_endo -60.3 -19.39 57.62 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.798 1.665 . . . . 0.0 112.562 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.27 -44.2 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 p -66.73 -27.59 67.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.254 0.55 . . . . 0.0 110.503 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 -11.45 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.462 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.86 -30.66 61.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.719 0.295 . . . . 0.0 110.348 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' HD11 ' A' ' 66' ' ' ILE . 87.5 m-85 -81.64 13.06 3.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.108 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -51.78 96.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.847 0.717 . . . . 0.0 112.317 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 52.83 46.49 26.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.361 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 95' ' ' ALA . 59.7 mt -66.3 -38.77 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.989 0.9 . . . . 0.0 109.391 173.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.86 -149.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.023 -1.444 . . . . 0.0 108.372 -172.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.97 45.01 1.89 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.506 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.5 m -89.64 123.5 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 121.241 0.543 . . . . 0.0 110.325 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 32.7 mt-10 -119.95 93.02 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.47 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.6 pm0 -81.74 101.04 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.653 0.74 . . . . 0.0 109.63 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -100.1 103.44 14.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.059 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.449 HD13 ' OH ' ' A' ' 75' ' ' TYR . 51.4 mt -93.58 114.18 26.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.345 -175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.661 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 79.4 p -118.31 114.66 23.31 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.632 ' HE1' HD12 ' A' ' 56' ' ' LEU . 90.6 m-85 -100.75 136.12 41.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.922 -175.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.0 p -115.96 -155.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.93 -24.03 17.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.8 m -110.15 -33.6 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.818 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -142.1 155.86 45.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.369 0.604 . . . . 0.0 111.86 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.49 119.94 40.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.318 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.661 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.9 OUTLIER -98.12 105.67 17.85 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.49 93.99 5.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.828 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' HB2' ' OE1' ' A' ' 81' ' ' GLN . 52.1 t30 -88.38 106.31 18.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -96.78 104.96 16.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.403 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 20.3 m -92.89 103.13 15.49 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.15 112.49 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.357 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.6 t70 -79.35 114.81 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.8 mtt -88.91 12.44 15.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -95.28 -41.89 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.179 0.514 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -95.4 0.17 53.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.304 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.82 139.51 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.368 0.604 . . . . 0.0 112.53 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -116.56 96.97 5.75 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.641 174.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -60.14 -37.62 80.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.318 -171.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.29 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.263 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -82.92 -39.06 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 0.0 110.378 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -23.81 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.54 -28.25 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 0.08 77.37 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.859 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 66' ' ' ILE . 4.1 mt -131.61 14.86 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.355 0.598 . . . . 0.0 110.019 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 p -74.0 91.14 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.335 0.588 . . . . 0.0 111.608 -174.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.67 25.76 24.97 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.928 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.6 mt -79.58 86.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.99 0.424 . . . . 0.0 109.916 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -88.68 31.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.638 0.732 . . . . 0.0 110.358 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.09 -67.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.1 m -151.72 92.42 1.75 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.307 171.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.9 -25.49 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.316 0.579 . . . . 0.0 110.525 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.554 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 10.5 mp0 -66.02 -14.66 62.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.633 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 117' ' ' GLN . 24.3 t70 -70.44 -42.02 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.138 0.494 . . . . 0.0 109.905 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.34 -27.63 65.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.53 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 107' ' ' GLU . 89.6 mttt -76.97 -17.92 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.902 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 111' ' ' LYS . 29.6 ttpt -91.38 -35.26 14.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.56 105.52 1.32 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.197 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.45 110.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.346 0.594 . . . . 0.0 110.957 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -128.02 179.72 5.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.294 178.419 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -57.7 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.747 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.48 72.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.669 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.5 mp0 -58.95 -64.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.48 176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 10.2 mmt -49.87 -37.96 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.459 0.474 . . . . 0.0 111.414 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.2 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.891 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 120' ' ' LEU . 5.4 tt -65.25 -41.47 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 0.0 110.428 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -66.68 -37.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.088 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.2 mmt -76.79 -29.25 55.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -64.14 -39.14 93.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.37 84.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.906 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.43 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.697 0.284 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 81.86 28.99 40.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.178 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.55 159.29 26.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.777 0.322 . . . . 0.0 110.285 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' SER . 39.5 mmtm -90.79 124.86 35.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.417 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -78.64 133.63 37.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.206 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.53 112.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.738 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' A' ' 131' ' ' LYS . 3.6 ptpt -99.15 120.41 39.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.782 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.3 mp -92.71 -3.35 54.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.866 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -83.0 96.78 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -160.4 94.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.068 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -118.96 -177.92 3.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.649 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -78.66 102.83 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -142.19 170.18 16.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -108.14 153.58 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.262 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.1 p80 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.051 176.856 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.06 70.38 2.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.81 74.93 4.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.243 0.544 . . . . 0.0 110.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -144.49 161.44 39.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.015 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -71.39 107.88 4.55 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.749 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 10.5 tp10 -105.12 137.51 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t -96.13 116.08 28.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.296 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 52.5 tttm -123.92 116.02 22.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB2' HG23 ' A' ' 22' ' ' THR . 37.8 ttpt -116.06 139.52 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 111.826 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.687 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 17.6 p90 -126.61 167.11 16.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 170.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -154.74 118.67 4.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 0.0 110.38 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.11 133.21 55.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.691 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -92.75 96.19 10.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.49 101.11 13.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.605 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 63.6 18.52 11.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.85 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.78 -13.39 17.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.178 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 m -109.02 116.86 32.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.2 mt-10 -76.24 140.67 41.71 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 21' ' ' ILE . 17.8 mt -126.08 101.4 8.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.31 99.97 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.881 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 40.1 mt -101.65 117.41 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.9 m -104.87 101.17 10.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.833 174.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -103.75 128.02 51.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.651 0.738 . . . . 0.0 110.97 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 90.9 t -95.73 115.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.249 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -117.54 161.21 19.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.356 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -137.75 104.99 5.45 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -115.98 4.41 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -109.82 6.78 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.646 0.736 . . . . 0.0 109.595 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 34.6 ttmt -105.86 110.63 22.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.712 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.34 119.85 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' HD2' ' A' ' 29' ' ' LYS . 95.5 mt -103.49 -21.62 13.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -170.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.58 135.53 14.66 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HG3' HG23 ' A' ' 21' ' ' ILE . 32.4 tt0 -123.03 108.32 12.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.751 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 6.4 p -92.78 94.73 9.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.357 0.599 . . . . 0.0 109.927 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -97.82 118.06 33.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.765 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.63 112.04 23.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.15 0.5 . . . . 0.0 110.118 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 28.0 m -98.24 111.38 23.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.925 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 4.7 ttmp? -94.59 111.04 22.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 111.203 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.61 119.94 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.749 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -73.57 140.25 46.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.8 m-85 -59.61 -30.37 68.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 111.007 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.37 62.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.679 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -92.57 -31.45 15.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.577 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.6 tt -87.51 -25.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.05 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.8 38.28 14.29 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.299 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.13 131.59 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.736 0.303 . . . . 0.0 110.806 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 m -92.87 -34.12 13.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.307 0.575 . . . . 0.0 109.979 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -123.16 171.38 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.164 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -73.46 -26.56 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -68.67 -36.38 78.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.15 -46.15 89.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.192 0.52 . . . . 0.0 110.048 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HA ' HD13 ' A' ' 44' ' ' ILE . . . -58.67 -50.54 73.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.331 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -59.64 -44.73 93.4 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -57.49 -25.31 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 44' ' ' ILE . 2.6 m -99.25 -34.24 10.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.3 -27.43 22.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -173.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.3 mt-10 -56.74 -45.49 99.94 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 81.5 Cg_exo -43.13 -33.77 3.75 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.849 2.366 . . . . 0.0 113.333 170.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.49 -45.65 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.952 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 57' ' ' GLU . 62.3 p -67.81 -28.47 67.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 111.584 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.87 29.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.88 -2.57 58.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.87 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 75.9 m-85 -89.47 2.15 54.92 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -55.62 106.61 0.26 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.306 0.575 . . . . 0.0 111.966 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.19 43.06 21.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.567 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 22.2 mt -78.6 -35.07 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.547 0.689 . . . . 0.0 109.675 173.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.84 -154.22 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.74 2.8 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 168.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 85' ' ' THR . 18.8 m -81.77 108.84 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.736 0.779 . . . . 0.0 110.685 -173.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 22.2 tt0 -93.34 102.98 15.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.841 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.17 121.78 38.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.596 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 99.0 mttt -125.2 97.09 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.124 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.6 mt -82.92 98.7 9.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 172.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 108.99 19.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.085 -171.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.65 102.26 13.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -79.96 -51.96 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.413 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.17 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.721 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -101.9 -6.7 23.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.251 0.548 . . . . 0.0 110.997 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -142.01 145.95 35.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 111.034 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.74 120.44 41.99 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.496 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -97.93 110.21 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 32.8 tt0 -86.36 79.66 8.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 3.6 t-20 -82.16 102.97 11.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.498 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.435 HG11 ' CE2' ' A' ' 63' ' ' TYR . 32.2 t -111.57 130.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -175.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 14.6 m -110.58 103.48 12.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.002 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.97 107.33 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.572 0.225 . . . . 0.0 110.573 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.8 113.5 7.11 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.562 ' HA ' HG22 ' A' ' 91' ' ' VAL . 58.3 mtt -83.4 7.75 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.149 0.5 . . . . 0.0 110.594 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.2 mt-10 -78.52 -30.13 46.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.492 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -145.94 76.75 1.47 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.255 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 88' ' ' MET . 1.6 t -95.5 131.19 42.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.485 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -83.88 83.6 7.87 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 19.2 m-85 -61.72 -21.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.586 -174.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 94' ' ' LYS . 43.0 mtpt -73.64 -40.74 63.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.701 0.286 . . . . 0.0 110.454 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.86 -25.24 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 0.0 110.099 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.77 -27.24 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.11 -4.05 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.043 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.31 -21.44 51.84 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.713 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 pt -127.09 6.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 p -76.44 78.18 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.869 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.89 43.0 1.92 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.692 HG22 HG12 ' A' ' 104' ' ' VAL . 49.7 mt -79.22 98.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.185 -0.508 . . . . 0.0 110.21 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -84.75 86.88 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.318 0.58 . . . . 0.0 111.418 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.692 HG12 HG22 ' A' ' 102' ' ' ILE . 6.7 p -162.83 -44.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.7 173.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 p -175.37 159.99 2.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.766 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -95.33 -17.21 21.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.412 0.625 . . . . 0.0 109.752 176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 24.0 mt-10 -69.68 -25.26 63.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.513 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.87 -51.95 66.12 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 109.83 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.48 89.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.552 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 94.3 mttt -66.74 -39.05 87.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.791 0.329 . . . . 0.0 111.397 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 1.3 mptm? -72.63 -30.25 64.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.281 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.3 114.33 3.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.44 124.23 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.519 0.676 . . . . 0.0 111.682 -174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.63 173.97 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.047 176.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.27 -40.28 90.03 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.29 -50.21 67.84 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.418 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.22 -64.64 0.87 Allowed 'General case' 0 C--O 1.201 -1.48 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.262 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.626 ' O ' ' HG2' ' A' ' 122' ' ' MET . 7.9 mmt -39.19 -53.12 1.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.454 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 16.2 mm-40 -60.05 -51.13 70.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.83 -26.51 59.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.337 0.589 . . . . 0.0 111.437 -177.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.8 -38.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.375 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.626 ' HG2' ' O ' ' A' ' 118' ' ' MET . 32.8 mmt -63.32 -41.88 98.95 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -64.31 -38.79 92.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.587 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.54 80.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.266 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.445 ' HB2' ' HB ' ' A' ' 104' ' ' VAL . . . -71.39 -32.27 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.081 0.467 . . . . 0.0 110.874 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.18 38.48 4.55 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.79 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -83.88 147.07 27.73 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.479 ' HB2' ' HE3' ' A' ' 128' ' ' LYS . 34.7 ttmt -104.07 125.64 50.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.056 0.455 . . . . 0.0 110.879 -175.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.71 144.69 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.026 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.15 -34.34 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 58.21 26.03 13.31 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.743 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.3 mt 64.97 100.33 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.74 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 134' ' ' HIS . 1.0 OUTLIER -109.77 176.61 5.01 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.577 ' H ' ' CD ' ' A' ' 133' ' ' GLU . 0.3 OUTLIER 60.48 63.09 1.41 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.554 . . . . 0.0 110.581 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -78.14 150.17 33.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.045 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 62.59 -93.88 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.912 170.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -159.77 -80.7 0.05 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.103 0.477 . . . . 0.0 110.174 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.86 -63.96 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 171.633 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttp . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.737 0.303 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.62 70.56 0.83 Allowed Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.74 -179.85 5.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 110.372 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -160.24 -62.63 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.66 113.65 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 O-C-N 124.287 0.992 . . . . 0.0 110.774 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 35.7 mt-10 -112.03 149.34 32.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.721 -171.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -130.81 121.14 24.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG3' ' HA ' ' A' ' 131' ' ' LYS . 40.6 ttmt -122.61 119.85 32.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.772 0.32 . . . . 0.0 110.275 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 ttpt -101.49 121.82 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.609 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 5.4 p90 -107.33 147.01 30.83 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.3 t -147.13 114.68 6.36 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.997 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.35 120.13 35.12 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.315 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 16.8 p-10 -89.59 103.71 16.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.704 0.764 . . . . 0.0 109.967 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD12 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -101.13 93.0 5.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.134 -174.764 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.9 t30 59.46 66.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.337 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 17.78 78.7 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 113.234 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -134.57 104.27 6.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.2 mt-10 -91.84 99.6 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.459 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.539 HG12 HG23 ' A' ' 37' ' ' THR . 39.7 mt -91.13 108.45 19.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.454 -0.499 . . . . 0.0 109.758 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.04 108.57 16.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.987 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.609 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.6 mt -101.74 110.93 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.4 m -97.42 89.49 4.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.99 176.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 18.0 p90 -91.47 126.6 36.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 111.277 -177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 56.1 t -89.89 121.1 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.263 174.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -129.8 154.62 47.05 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.35 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -134.34 104.17 6.03 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.37 -118.94 5.03 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.226 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -106.84 -1.77 22.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.567 0.698 . . . . 0.0 109.523 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.8 tmtm? -92.99 111.57 23.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.149 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.5 124.49 37.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.2 mt -102.41 -41.62 6.26 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -170.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.5 127.65 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -107.77 96.05 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.109 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 15.5 m -85.41 91.32 8.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.354 0.597 . . . . 0.0 109.877 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.498 ' HA ' HG12 ' A' ' 21' ' ' ILE . 34.6 t -97.37 101.05 12.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.838 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 37.3 mt-10 -101.31 108.59 20.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.945 0.402 . . . . 0.0 110.753 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 14.5 m -92.61 101.94 14.36 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 6.7 tppt? -82.07 101.61 10.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.82 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mt -102.31 115.61 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 -175.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.05 143.24 49.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.0 m-30 -64.48 -14.9 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.15 72.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.7 0.286 . . . . 0.0 111.422 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 m -85.28 -23.46 28.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.422 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 41' ' ' PHE . 11.8 tt -99.79 -25.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.006 0.432 . . . . 0.0 111.255 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.68 34.07 14.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.758 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -102.51 147.02 27.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -102.61 -38.9 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.514 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -138.16 -179.45 5.79 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.654 0.264 . . . . 0.0 110.661 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.7 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 7.4 ptpp? -60.6 -33.57 72.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.953 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.08 -36.54 77.73 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.323 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -55.61 -48.38 75.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.854 0.835 . . . . 0.0 109.32 175.226 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.79 95.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.046 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.46 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -55.94 -23.19 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.357 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.5 m -98.02 -49.68 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.774 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 mt -93.13 -9.84 38.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.39 -45.51 13.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 121.441 -0.787 . . . . 0.0 110.753 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -48.95 -31.94 21.68 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.163 1.909 . . . . 0.0 111.823 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -75.12 -46.64 33.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' OE2' ' A' ' 71' ' ' GLU . 3.9 p -66.62 -17.04 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.955 178.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' O ' ' HD2' ' A' ' 64' ' ' LYS . . . -72.0 1.02 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.824 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -88.73 -43.4 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 174.744 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 78.0 m-85 -90.95 3.19 55.31 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -174.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -59.38 105.5 0.35 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.045 0.926 . . . . 0.0 111.619 -171.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 50.3 65.16 1.52 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.782 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 30.1 mt -95.95 -77.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -121.85 -145.14 0.35 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.011 177.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . -75.94 48.96 2.44 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 171.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.13 101.63 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.56 0.695 . . . . 0.0 110.151 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.6 mt-10 -95.21 107.25 19.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.549 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HB3' ' A' ' 60' ' ' SER . 77.4 tt0 -110.47 129.27 55.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.04 0.447 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 51.0 tptt -132.4 106.65 8.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.81 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -91.88 99.69 12.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.775 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 68.0 p -101.78 108.95 20.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -119.87 120.65 37.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.566 0.698 . . . . 0.0 112.231 -176.343 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 m -100.28 161.81 13.36 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -77.44 58.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.334 0.587 . . . . 0.0 110.812 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 79' ' ' TYR . 5.2 t -171.58 -35.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.529 ' CD2' HG23 ' A' ' 78' ' ' THR . 44.0 p90 -153.05 153.15 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.305 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.47 127.63 54.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.187 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.584 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 33.4 tt0 -98.81 108.77 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.139 0.495 . . . . 0.0 109.904 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 20.4 tt0 -83.76 84.93 7.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.933 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 22.3 t-20 -81.02 101.59 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.037 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 34' ' ' SER . 22.7 t -107.67 147.37 12.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 23.6 m -143.0 106.54 4.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.1 mt -98.11 108.8 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.008 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 8.7 t70 -74.42 122.01 22.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.529 ' HA ' HG22 ' A' ' 91' ' ' VAL . 52.3 mtt -91.54 22.67 3.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.045 -173.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.91 -19.88 10.78 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.467 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -114.13 -12.15 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.57 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -61.67 137.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.5 104.23 14.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.903 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.53 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 8.9 m-85 -63.22 -13.92 43.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.115 -173.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -64.19 -38.33 90.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 0.0 110.639 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.57 -28.68 20.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 109.832 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 10.0 tp -58.83 -30.03 67.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.61 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -55.56 -38.04 68.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.548 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.62 -18.48 63.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.0 pt -126.19 38.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.8 m -72.11 100.53 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.01 0.433 . . . . 0.0 110.685 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.68 -6.96 60.39 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.067 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.45 88.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.87 67.09 6.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 0.0 110.699 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.4 t -141.53 -74.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 109.835 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.9 m -137.76 138.86 39.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.977 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.98 -30.49 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.108 0.48 . . . . 0.0 111.32 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.467 ' HA ' ' HG3' ' A' ' 110' ' ' LYS . 29.9 mt-10 -79.9 -3.49 48.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.432 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.08 -33.76 65.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.73 64.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.82 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HG3' ' HA ' ' A' ' 107' ' ' GLU . 96.7 mttt -67.21 -37.18 83.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.721 175.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -78.64 -53.33 7.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.16 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.81 115.03 1.6 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.453 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.9 118.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.762 0.792 . . . . 0.0 110.802 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.85 172.51 10.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.365 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.437 ' HE3' ' OE2' ' A' ' 119' ' ' GLU . 13.3 tpt -67.29 -43.62 81.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.331 -173.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.04 71.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.687 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.32 -64.01 1.1 Allowed 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.47 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 mmt -44.57 -41.07 6.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.437 ' OE2' ' HE3' ' A' ' 115' ' ' MET . 61.4 mm-40 -61.72 -57.94 9.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -76.43 -27.3 56.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.364 0.602 . . . . 0.0 111.304 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 t -72.54 -46.9 53.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.501 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.45 -26.48 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 175.773 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.28 -35.41 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.492 174.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.69 -37.92 67.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.24 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.37 32.47 7.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.505 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.69 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.1 m-85 -90.0 139.21 30.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 110.314 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -99.17 127.39 45.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 123.28 32.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.365 0.602 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.55 -16.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.059 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' A' ' 8' ' ' LYS . 44.8 mtpt 66.42 -170.3 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 -176.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -162.94 95.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -128.2 172.63 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.29 108.73 5.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.713 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -95.37 -22.93 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.287 0.565 . . . . 0.0 109.5 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -95.59 92.01 6.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.643 176.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -144.31 99.17 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.429 . . . . 0.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -146.48 173.76 12.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.023 -178.235 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.46 144.77 12.46 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.43 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.12 155.27 28.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.714 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 2.7 mptp? -86.32 93.5 9.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.344 -172.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 69.52 106.72 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.988 0.805 . . . . 0.0 110.665 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.21 145.53 51.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 -174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HB3' HD11 ' A' ' 132' ' ' LEU . 24.3 t -96.74 129.14 44.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.126 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 8' ' ' LYS . 1.9 tppp? -113.73 99.21 7.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HG3' ' OG1' ' A' ' 22' ' ' THR . 46.1 tttp -95.5 108.74 21.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.586 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.762 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -115.6 152.34 33.27 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 173.331 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -148.34 130.17 15.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.81 113.05 16.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -82.49 104.87 13.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.85 174.18 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -76.67 54.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.164 0.506 . . . . 0.0 110.892 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.51 -54.88 0.22 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.867 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 HG12 ' A' ' 39' ' ' ILE . 8.2 p -115.28 146.04 41.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 111.768 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 7.0 mt-10 -105.35 102.22 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.528 HG12 HG23 ' A' ' 37' ' ' THR . 50.4 mt -98.34 118.58 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.988 0.423 . . . . 0.0 111.544 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.47 106.97 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.338 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.762 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 57.5 mt -108.78 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.715 0.769 . . . . 0.0 110.344 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HG3' ' A' ' 9' ' ' LYS . 7.2 m -103.9 94.52 5.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.314 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -103.7 128.0 51.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.409 0.624 . . . . 0.0 111.232 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.9 t -95.3 127.14 47.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.716 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 44.6 p90 -118.6 145.65 45.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.322 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -117.63 92.92 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.62 4.96 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.524 -176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -99.26 3.6 46.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.633 0.254 . . . . 0.0 111.255 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -121.72 133.34 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.242 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG3' ' A' ' 118' ' ' MET . 21.5 t -84.21 133.48 29.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 172.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -119.7 -20.07 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -171.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -146.94 117.06 7.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.995 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -108.51 106.85 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.433 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 7.1 m -89.09 102.78 15.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 33.2 t -106.83 103.32 12.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -112.59 104.29 12.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.28 0.562 . . . . 0.0 109.73 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.528 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -102.04 110.47 22.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 71.5 tttt -87.68 108.8 19.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.076 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 46.4 mt -100.45 122.9 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.3 147.88 37.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.9 m-30 -64.79 -23.84 67.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.86 88.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.812 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 p -84.55 -27.45 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.4 tt -83.05 -29.2 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.389 . . . . 0.0 110.826 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.16 32.68 8.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -114.46 148.29 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 m -105.59 -32.77 8.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -134.11 179.26 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 5.4 tmmm? -65.8 -35.46 80.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.66 -51.73 58.9 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.793 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.24 -41.24 90.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.01 92.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.607 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.23 76.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -62.82 -12.02 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.619 0.247 . . . . 0.0 111.577 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.3 m -99.26 -43.65 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 111.267 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.71 -33.83 17.4 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 71.5 mm-40 -55.5 -50.25 87.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -70.96 -11.84 29.82 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.931 1.754 . . . . 0.0 112.414 174.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 8.4 tt -84.17 -41.24 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 13.0 p -70.81 -26.96 63.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.278 0.561 . . . . 0.0 109.919 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -67.96 -9.91 49.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.278 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 59' ' ' LEU . 68.2 mttm -69.25 -30.99 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 110.219 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 37.8 m-85 -76.44 -57.94 3.57 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 6.1 mtmp? 65.26 -178.35 0.18 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.309 -174.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -86.53 71.59 10.39 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.456 0.646 . . . . 0.0 110.811 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.67 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.681 0.753 . . . . 0.0 110.079 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -143.34 -89.32 0.13 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.754 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . -119.47 33.42 4.67 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.873 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.7 m -91.37 98.9 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.238 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -94.41 121.21 35.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.276 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -108.7 93.99 4.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.09 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 23.7 tptm -106.96 114.52 28.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.085 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 mt -97.74 110.01 22.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -101.89 112.0 24.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.139 0.495 . . . . 0.0 110.702 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -95.33 103.06 14.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.561 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.16 59.32 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.143 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.3 t70 76.83 -57.6 0.53 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.556 169.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -114.75 -14.52 11.99 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.136 0.493 . . . . 0.0 111.317 -172.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -146.44 152.53 39.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.09 121.8 42.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.544 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 43.7 tt0 -103.97 123.24 46.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.19 91.34 7.69 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 9.9 m120 -78.82 89.8 4.66 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 35' ' ' SER . 39.4 t -104.54 130.88 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -173.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.3 m -122.04 112.46 18.28 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -107.57 98.08 6.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.683 0.277 . . . . 0.0 111.161 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.608 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.0 m-20 -70.75 111.01 5.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.124 0.488 . . . . 0.0 110.033 172.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 52.1 mtt -84.31 11.4 8.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.788 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.38 -13.27 58.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.935 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 38.4 ttmt -155.5 42.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -67.1 104.31 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.813 176.451 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -81.29 95.31 6.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 62.8 m-85 -69.36 -0.9 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.56 -176.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.62 -38.01 16.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.68 27.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.278 0.561 . . . . 0.0 109.695 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 7.4 tt -72.27 -7.2 48.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.678 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.89 -24.68 64.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.342 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.16 -1.69 78.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.177 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.478 HG13 ' HG ' ' A' ' 96' ' ' LEU . 10.8 pt -142.47 -155.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 122.784 0.434 . . . . 0.0 109.873 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.56 ' HA ' HD21 ' A' ' 96' ' ' LEU . 11.5 p -176.81 -57.0 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.344 0.592 . . . . 0.0 111.02 175.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.38 -36.67 3.51 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -172.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.4 mt -91.43 83.18 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -79.16 29.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.006 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 56.2 t -90.36 -54.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.9 m -152.73 114.08 4.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.172 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.83 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.238 0.542 . . . . 0.0 109.603 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -53.72 -50.98 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.443 173.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 111' ' ' LYS . 4.4 t70 -70.42 -26.97 63.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.532 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -67.57 -53.93 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -74.34 -4.64 37.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.617 0.722 . . . . 0.0 110.443 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 108' ' ' ASP . 59.4 tttt -82.77 -13.65 55.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.188 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.9 102.77 1.83 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 109' ' ' ALA . 48.6 mm -74.32 117.63 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.731 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 44.4 p -105.77 -178.46 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.988 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -42.92 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.99 69.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.791 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 8.3 mt-30 -65.02 -61.62 2.04 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.512 ' HG3' HG21 ' A' ' 30' ' ' VAL . 8.4 mmt -42.16 -48.52 4.82 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -57.65 -61.52 2.45 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.56 -24.49 61.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.733 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 5.0 t -80.67 -40.44 19.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.928 -177.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.49 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -66.15 -35.26 79.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.319 0.581 . . . . 0.0 109.773 172.554 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.39 -31.0 65.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.848 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.23 -17.78 38.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.648 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 78.15 49.66 6.76 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.94 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 37.8 m-85 -78.75 177.54 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.987 0.423 . . . . 0.0 111.122 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -115.11 123.06 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.8 127.52 33.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.13 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.8 t -88.59 -44.8 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.5 tttp 59.82 102.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.648 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.432 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 2.0 pp -80.95 -2.0 45.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.939 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.56 65.52 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.652 0.739 . . . . 0.0 110.52 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -145.71 12.12 1.29 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -130.95 88.94 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.065 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -60.43 125.13 22.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 111.879 -175.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -64.81 120.75 13.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 59.3 t60 61.77 94.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.961 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.0 t60 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.434 175.772 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 4.5 pt-20 . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -104.63 145.23 30.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 -164.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m -96.13 126.25 41.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.522 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 71.7 mmtt -112.92 114.48 26.99 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 131' ' ' LYS . 58.0 tttp -116.6 116.0 26.77 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.481 -171.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.645 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 13.1 p90 -109.54 160.8 15.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' ALA . 31.9 t -145.58 107.75 4.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.22 115.68 30.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.496 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -92.21 97.68 11.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -142.81 146.78 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.459 -174.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 66.93 1.75 2.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.094 0.473 . . . . 0.0 112.025 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 -3.39 57.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.303 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 39' ' ' ILE . 3.6 p -108.07 128.83 55.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.535 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.0 mt-10 -94.38 94.58 8.35 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.56 HG12 HG23 ' A' ' 37' ' ' THR . 61.7 mt -93.9 107.09 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.928 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -118.8 107.02 13.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.168 0.509 . . . . 0.0 109.97 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 63.4 mt -96.73 116.84 39.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.794 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 9' ' ' LYS . 2.1 m -98.9 89.42 4.3 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.477 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.503 ' CE2' ' HG2' ' A' ' 118' ' ' MET . 28.7 p90 -96.61 124.35 40.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.486 0.66 . . . . 0.0 111.009 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 123.23 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.124 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -117.02 150.61 38.33 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.724 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 72.5 tttt -132.29 113.29 13.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.8 -115.96 4.15 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.889 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.15 3.74 13.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.03 0.443 . . . . 0.0 110.332 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.566 ' HD3' HD21 ' A' ' 31' ' ' LEU . 50.3 tttm -111.78 130.03 55.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.67 135.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD21 ' HD3' ' A' ' 29' ' ' LYS . 96.3 mt -120.58 -30.48 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -172.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.37 124.61 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.878 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 50.6 tt0 -108.36 99.83 9.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.607 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 32.3 t -85.51 96.03 9.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG12 ' A' ' 21' ' ' ILE . 19.3 m -97.44 92.91 6.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.376 0.607 . . . . 0.0 109.506 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.7 107.26 19.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.854 -174.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG12 ' A' ' 19' ' ' ILE . 60.3 m -107.2 108.74 20.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.222 -176.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 81.9 tttt -86.32 98.87 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.284 0.564 . . . . 0.0 110.295 177.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.476 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -88.9 134.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.97 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -97.35 148.19 23.41 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.514 ' HA ' HG22 ' A' ' 44' ' ' ILE . 7.3 m-85 -71.71 174.43 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.39 -57.2 0.58 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.591 0.557 . . . . 0.0 110.951 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -62.86 -37.03 85.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 111.046 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 46' ' ' ALA . 6.9 tt -73.23 -17.79 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.282 0.563 . . . . 0.0 110.636 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -1.62 60.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.75 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.754 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -99.63 133.67 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.245 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -101.08 -19.89 15.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.965 0.412 . . . . 0.0 110.521 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.591 HG23 ' H ' ' A' ' 51' ' ' ASP . 8.3 t -133.04 158.17 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.343 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 21.6 pttp -63.48 -29.53 70.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.411 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.94 -52.43 63.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.352 0.596 . . . . 0.0 110.245 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' H ' HG23 ' A' ' 48' ' ' THR . 16.3 t70 -64.19 -32.31 73.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.19 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.887 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -61.99 -39.79 93.41 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.252 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.13 -17.28 57.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.187 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -97.05 -35.15 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -83.8 -44.1 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.585 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 49.3 mt-10 -48.88 -54.55 26.84 Favored Pre-proline 0 N--CA 1.467 0.416 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 86.6 Cg_exo -43.83 -39.55 10.69 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.899 2.4 . . . . 0.0 113.502 175.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.0 -46.95 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.284 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -64.89 -27.79 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.093 0.473 . . . . 0.0 110.677 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.07 -8.48 56.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.998 ' HB3' HD12 ' A' ' 99' ' ' ILE . 79.6 mttt -69.03 -34.31 75.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.548 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.638 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.1 m-85 -66.47 -48.45 69.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 49.05 -93.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.082 0.864 . . . . 0.0 112.659 168.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -147.71 42.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 0.0 110.195 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 99' ' ' ILE . 58.6 mt -57.66 -43.24 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.684 0.754 . . . . 0.0 109.848 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -164.14 -149.59 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.212 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.06 54.1 3.05 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.433 -0.889 . . . . 0.0 110.947 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.2 m -96.07 102.77 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.455 0.645 . . . . 0.0 111.112 -175.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.749 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 36.3 mm-40 -93.68 130.84 39.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.464 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.2 101.9 8.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.191 0.52 . . . . 0.0 111.169 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.749 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.2 mptp? -104.9 97.94 7.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.063 -0.398 . . . . 0.0 110.999 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.37 98.99 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.95 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 72.9 p -101.74 109.16 20.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 13.5 p90 -143.35 131.94 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.351 0.596 . . . . 0.0 111.468 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -101.84 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.713 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -171.47 -33.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.563 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.4 m -87.46 -34.76 18.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 111.459 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -148.2 159.77 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.339 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.06 110.77 13.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.606 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -98.13 107.21 19.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -177.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.68 92.89 9.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.484 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.76 106.57 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' A' ' 35' ' ' SER . 53.6 t -103.61 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.272 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 34.5 m -135.35 101.78 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.957 0.408 . . . . 0.0 109.997 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 68.2 mt -95.26 114.65 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.326 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.5 t70 -83.74 119.79 25.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.55 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.408 ' HE1' HG13 ' A' ' 113' ' ' ILE . 51.3 mtt -91.9 21.37 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.929 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -109.86 1.95 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.271 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -147.45 15.52 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.252 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -65.13 134.62 29.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -101.77 108.92 20.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.768 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.539 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 61.3 m-85 -80.79 -8.91 59.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.508 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.03 -57.97 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.64 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 99' ' ' ILE . . . -71.95 -35.49 69.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.038 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.86 -31.3 59.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.774 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 27.2 mm-40 -64.64 -20.68 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.37 5.59 33.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.955 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.998 HD12 ' HB3' ' A' ' 62' ' ' LYS . 32.3 mm . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.085 0.469 . . . . 0.0 110.387 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.556 ' HA ' ' NE2' ' A' ' 117' ' ' GLN . 20.2 t0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.54 71.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -173.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.81 -36.71 17.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -92.12 -10.19 39.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.539 ' HA2' ' CZ ' ' A' ' 93' ' ' PHE . . . 112.02 121.01 3.93 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.501 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.408 HG13 ' HE1' ' A' ' 88' ' ' MET . 16.8 mm -62.54 121.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.158 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -115.81 155.46 27.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.41 -41.93 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 118.07 0.396 . . . . 0.0 111.126 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.9 79.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.235 0.541 . . . . 0.0 110.506 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' A' ' 108' ' ' ASP . 13.2 mt-30 -68.67 -67.25 0.48 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.674 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.503 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -43.18 -44.9 5.36 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.456 . . . . 0.0 112.139 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 2.4 mm-40 -59.15 -65.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.82 -30.21 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.395 0.617 . . . . 0.0 111.404 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 t -79.29 -38.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.449 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 18.2 mmt -74.63 -29.74 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.633 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.1 mptt -69.21 -36.18 76.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 172.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.66 -29.9 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.656 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.32 -13.32 61.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.155 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.4 27.22 64.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.58 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -92.76 153.33 18.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.647 0.26 . . . . 0.0 110.337 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -103.34 122.13 44.18 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 110.478 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 6.8 pt-20 -82.15 137.52 34.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.1 0.85 10.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.492 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 49.4 mttp . . . . . 0 C--O 1.222 -0.384 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.627 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.85 151.32 37.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.2 p -137.27 135.89 37.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 0.0 111.165 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.917 ' HE2' ' HG2' ' A' ' 129' ' ' GLU . 14.2 tttt -134.14 98.06 4.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.068 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.1 ttmm -89.17 118.01 28.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.771 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.5 p90 -105.12 144.95 31.21 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.62 ' OG ' HG21 ' A' ' 130' ' ' VAL . 22.5 p -135.48 116.77 14.56 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.907 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.64 128.19 32.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 111.703 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 18.7 t-20 -88.11 99.81 12.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 84.85 4.65 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.297 177.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 74.56 -56.47 0.64 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.241 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.6 -34.65 0.12 Allowed Glycine 0 C--N 1.312 -0.799 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.768 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 123.69 39.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.633 0.254 . . . . 0.0 111.129 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 1.9 mt-10 -97.24 96.51 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.471 HG12 HG23 ' A' ' 37' ' ' THR . 57.9 mt -93.07 121.33 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.197 0.523 . . . . 0.0 110.891 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -116.55 103.63 10.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.262 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -101.17 124.41 54.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.155 0.502 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.2 m -108.56 105.85 15.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.963 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 7' ' ' SER . 50.3 m-85 -83.29 105.79 14.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.618 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -92.1 98.4 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.67 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 28.4 p90 -125.69 162.4 25.11 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.029 -172.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -141.31 116.91 10.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.8 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.3 -116.06 4.15 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -171.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -115.21 -12.24 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.761 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -93.99 123.06 37.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.048 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.67 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 19.2 t -74.44 124.23 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 169.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.7 -36.18 9.21 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.319 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -134.91 116.94 15.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 0.0 109.848 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -110.63 111.2 22.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.809 -176.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 34.7 t -92.06 94.32 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 9.2 m -97.35 101.86 13.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 22.8 mt-10 -108.1 107.54 18.24 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.386 -171.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 11.0 m -87.18 107.94 18.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.142 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HG2' ' NE2' ' A' ' 40' ' ' GLN . 51.6 tttm -82.73 93.83 7.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.604 0.716 . . . . 0.0 109.83 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.6 mt -90.17 119.37 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.341 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.568 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 20.7 mm-40 -88.5 154.6 20.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -61.43 -31.31 71.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.632 0.253 . . . . 0.0 111.543 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.01 -18.67 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.874 0.369 . . . . 0.0 110.984 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -83.16 -37.51 23.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.986 0.422 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 tt -87.25 -32.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.151 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.32 33.8 8.48 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.723 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -104.09 144.95 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.188 . . . . 0.0 110.626 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.35 -50.27 7.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.343 0.592 . . . . 0.0 110.391 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.2 p -127.89 176.0 7.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.01 -20.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.95 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.46 -51.42 63.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 9.1 m-20 -59.93 -41.25 91.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.333 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.93 51.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.324 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.474 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.4 -44.54 96.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.16 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -61.64 -17.3 54.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 m -95.73 -36.76 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.249 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.01 -36.38 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 33.1 mt-10 -51.84 -45.71 92.25 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 80.4 Cg_exo -41.38 -40.82 4.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.22 2.613 . . . . 0.0 114.08 172.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.33 -41.26 73.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.628 0.251 . . . . 0.0 111.24 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -60.99 -20.59 62.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 111.603 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.36 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.776 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.8 -34.45 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.938 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 95.0 m-85 -75.83 -20.74 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.492 -170.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 71.4 mmtt -78.63 22.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.082 0.468 . . . . 0.0 111.757 -175.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -135.19 5.99 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.437 0.637 . . . . 0.0 109.308 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 ' CB ' ' A' ' 92' ' ' ASP . 73.3 mt -126.02 93.56 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.177 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HD3' ' A' ' 90' ' ' LYS . . . 47.9 -146.06 0.28 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.672 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.89 29.5 7.94 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 t -85.44 111.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.95 143.33 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.066 0.46 . . . . 0.0 111.406 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 84' ' ' VAL . 40.9 tt0 -107.43 107.21 17.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.272 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -100.15 107.6 19.52 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.639 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 85.6 mt -84.44 124.75 31.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.1 p -119.53 121.04 38.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.447 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 44.3 m-85 -114.06 128.85 56.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 -175.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 m -108.59 -79.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.63 -67.7 0.25 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -100.56 0.55 39.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.572 . . . . 0.0 110.998 -174.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -149.96 157.14 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.64 130.87 38.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.603 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 23.3 mt-30 -99.33 119.3 37.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.367 0.603 . . . . 0.0 110.94 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 25.0 tt0 -85.8 88.33 7.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.264 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.0 t-20 -84.13 95.63 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.258 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.519 HG22 ' HG3' ' A' ' 71' ' ' GLU . 48.9 t -96.57 101.56 12.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.142 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.0 m -91.17 106.07 18.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.573 ' HA ' HG13 ' A' ' 69' ' ' VAL . 43.8 mt -99.39 124.2 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 -178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 11.3 t70 -91.37 113.99 26.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.538 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.8 mmt -90.2 6.41 42.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.498 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 25.5 mm-40 -84.29 -2.41 56.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.254 0.55 . . . . 0.0 109.715 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HD3' ' HB2' ' A' ' 67' ' ' ALA . 56.9 tttt -150.58 -62.05 0.19 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.271 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER 51.77 -167.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.319 -166.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 91' ' ' VAL . 14.6 t70 -144.47 95.16 2.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 159.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -69.78 -10.21 57.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.217 -170.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -86.24 -51.61 6.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.84 -10.97 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 110.454 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 18.4 tp -61.42 -17.56 54.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.676 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -62.66 -23.23 66.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.27 55.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.144 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.2 pt . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 120.958 0.409 . . . . 0.0 111.363 -178.074 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.68 0.752 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.5 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.511 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -96.59 -33.91 11.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.338 0.589 . . . . 0.0 110.47 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.2 -30.75 34.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.747 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 142.08 108.01 0.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.152 -1.023 . . . . 0.0 112.732 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 109' ' ' ALA . 46.0 mm -76.0 112.77 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.001 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.3 p -127.94 179.05 5.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.4 tpt -71.69 -39.37 70.27 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.664 -0.415 . . . . 0.0 109.976 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.12 73.91 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.027 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.35 -66.51 0.5 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.479 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.466 ' O ' ' HB2' ' A' ' 122' ' ' MET . 23.1 mmt -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.36 -66.38 0.47 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.648 0.261 . . . . 0.0 111.352 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.14 -35.37 80.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.263 0.554 . . . . 0.0 111.215 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.5 t -70.7 -44.32 76.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.514 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.668 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -76.08 -30.48 58.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.686 0.279 . . . . 0.0 111.276 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.89 -19.55 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.64 47.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.203 0.525 . . . . 0.0 110.082 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.51 -17.95 57.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.55 38.83 6.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.414 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.668 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.9 m-85 -101.69 159.23 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -125.28 136.79 53.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.917 ' HG2' ' HE2' ' A' ' 8' ' ' LYS . 2.8 mp0 -69.66 139.22 53.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.578 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.62 HG21 ' OG ' ' A' ' 11' ' ' SER . 45.3 t -118.26 -23.79 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.407 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 51.5 mmtt . . . . . 0 N--CA 1.468 0.432 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.325 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 35.0 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -146.02 141.29 27.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.2 m -116.42 129.8 56.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.373 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 11.1 mmtp -113.19 95.14 5.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.432 175.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.6 tttt -90.4 124.17 34.72 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.0 p90 -121.69 157.38 31.02 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB2' HG21 ' A' ' 130' ' ' VAL . 6.8 m -147.66 115.07 6.29 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.538 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 124.81 35.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.99 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 43.0 t-20 -92.65 108.38 19.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.12 43.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 110.787 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 77.13 -56.42 0.53 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.018 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.8 -37.28 9.52 Favored Glycine 0 C--N 1.313 -0.708 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.826 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 HG12 ' A' ' 39' ' ' ILE . 6.5 p -136.57 139.56 42.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.776 0.322 . . . . 0.0 111.278 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 2.8 mt-10 -102.47 97.37 7.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 37' ' ' THR . 54.0 mt -95.63 115.26 34.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.012 0.434 . . . . 0.0 111.128 -172.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.11 111.56 18.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.86 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 35' ' ' SER . 57.9 mt -113.36 128.78 70.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.029 -175.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.471 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 26.1 m -99.67 103.47 15.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 174.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB2' ' HB2' ' A' ' 8' ' ' LYS . 84.8 m-85 -82.82 102.34 11.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.645 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.41 98.57 8.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB3' HG22 ' A' ' 30' ' ' VAL . 45.9 p90 -109.55 144.14 38.24 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.482 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' HB2' ' A' ' 5' ' ' GLU . 32.1 ttmt -143.36 116.45 8.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.388 -173.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.23 4.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.058 -1.067 . . . . 0.0 110.537 -168.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -108.61 -30.61 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 110.684 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HD2' HD23 ' A' ' 31' ' ' LEU . 25.8 ttmt -90.07 145.96 24.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.268 -172.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 25' ' ' TYR . 39.3 t -80.12 94.28 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 167.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HD2' ' A' ' 29' ' ' LYS . 67.6 mt -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -168.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -135.94 118.31 15.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.319 0.581 . . . . 0.0 110.618 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.41 103.87 13.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 26.1 m -87.72 90.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.045 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.561 ' HA ' HG12 ' A' ' 21' ' ' ILE . 5.8 m -97.6 97.51 9.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.264 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.06 109.27 21.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.128 0.489 . . . . 0.0 110.244 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 19' ' ' ILE . 85.8 m -95.51 110.44 22.51 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.446 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 28.4 tttm -82.4 104.05 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 109.752 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 17' ' ' THR . 56.2 mt -99.53 127.56 52.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.391 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -85.49 149.73 25.19 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.6 m-30 -64.92 -15.1 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.44 60.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.682 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -94.05 -30.79 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.548 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.1 tt -79.93 -30.48 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.53 36.7 13.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.981 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.01 146.77 33.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.49 -44.98 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.353 . . . . 0.0 111.525 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -128.41 175.56 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.216 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.68 -20.73 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.047 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.07 -48.52 73.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.48 -42.37 87.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.018 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.52 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.162 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.999 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -66.3 -13.01 59.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.4 m -99.39 -48.11 4.91 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 98.8 mt -93.38 -36.31 12.57 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -166.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 31.5 mt-10 -47.37 -50.14 50.23 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 14.9 Cg_endo -60.58 -12.78 22.47 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.228 1.952 . . . . 0.0 113.627 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.19 -42.39 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.755 0.312 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 m -61.31 -22.18 64.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.852 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -24.73 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.544 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -64.96 -27.42 68.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 111.009 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.623 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 58.1 m-85 -69.85 -33.93 72.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.248 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -77.58 12.66 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.072 0.463 . . . . 0.0 111.399 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -108.04 -8.75 15.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.445 0.64 . . . . 0.0 109.458 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -98.19 -71.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.576 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -169.25 -146.12 0.06 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.906 -174.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.18 13.53 3.43 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' TYR . 2.8 t -82.04 104.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -132.32 158.22 42.45 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.254 0.55 . . . . 0.0 111.474 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HG3' HG22 ' A' ' 84' ' ' VAL . 39.4 tt0 -125.67 130.93 52.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.054 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -120.58 112.62 19.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.152 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.66 102.27 14.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.929 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 25.6 p -101.73 121.14 41.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.213 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -106.73 137.5 44.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.663 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -104.47 -83.8 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.0 -59.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -92.0 -17.56 24.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.659 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -145.53 164.11 32.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.051 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.31 48.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 21.7 mt-30 -99.57 113.62 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.39 85.58 6.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.92 102.95 8.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.083 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG22 ' HG3' ' A' ' 71' ' ' GLU . 50.4 t -106.99 106.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.235 -176.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.7 m -97.83 104.58 16.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.274 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' HG13 ' A' ' 69' ' ' VAL . 46.9 mt -97.79 122.83 49.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.74 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' ' 91' ' ' VAL . 23.3 t70 -98.31 115.39 28.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.4 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.3 mmt -93.83 13.13 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.292 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 5.3 mm-40 -89.68 -3.75 58.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.5 0.667 . . . . 0.0 109.505 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 84.9 tttt -143.3 -66.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.619 175.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 39.38 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.249 1.02 . . . . 0.0 113.524 -174.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 21.0 t70 -159.95 101.17 1.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.623 167.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -71.83 -3.64 23.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.83 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -85.73 -58.78 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.62 62.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.591 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 8.5 tp -55.8 -33.23 64.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.215 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.78 -36.3 47.05 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.769 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.14 86.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.542 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 96' ' ' LEU . 2.4 pp . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 117.165 0.482 . . . . 0.0 112.248 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.586 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 9.2 t70 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.126 0.489 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -66.73 -15.53 63.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.099 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -87.63 -16.04 35.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.376 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' A' ' 108' ' ' ASP . 80.8 mttt -78.04 -39.83 40.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.365 0.602 . . . . 0.0 110.314 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 104.52 1.55 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 109' ' ' ALA . 45.1 mm -75.08 105.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.548 0.69 . . . . 0.0 111.846 -172.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 43.1 p -117.38 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.834 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.29 -35.22 61.33 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.32 -44.95 72.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.302 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.6 mp0 -58.95 -66.19 0.54 Allowed 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 176.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 122' ' ' MET . 25.9 mmt -50.27 -43.35 53.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.52 -60.42 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 111.452 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.56 -35.74 77.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.219 0.533 . . . . 0.0 111.201 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.7 t -73.17 -43.46 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.933 -174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.71 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -72.3 -31.64 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.743 0.306 . . . . 0.0 111.082 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.52 -16.12 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.85 48.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.116 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.58 -19.79 30.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.6 28.05 9.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.645 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.71 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 22.6 m-85 -86.38 148.71 25.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -120.43 142.59 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -61.76 159.13 14.2 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.855 0.836 . . . . 0.0 112.209 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 11' ' ' SER . 41.7 t -139.84 -44.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.402 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' CA ' ' HB3' ' A' ' 9' ' ' LYS . 52.1 mttt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.77 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -98.32 125.16 43.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.503 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 p -101.17 139.01 37.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.11 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' THR . 16.4 mmtp -136.06 111.23 8.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 172.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.13 115.72 30.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.248 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.0 p90 -116.04 165.05 13.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 32.2 t -156.4 119.27 4.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.143 0.497 . . . . 0.0 110.57 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.31 110.33 21.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.026 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.28 89.03 7.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.508 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.2 pp -134.32 147.27 50.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.041 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t30 71.35 -14.2 0.49 Allowed 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.533 0.521 . . . . 0.0 112.234 173.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 110.06 6.34 28.05 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -172.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 HG13 ' A' ' 39' ' ' ILE . 5.3 p -115.95 121.37 42.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.553 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.6 mt-10 -88.34 98.55 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 11' ' ' SER . 57.0 mt -92.41 92.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.04 0.447 . . . . 0.0 110.21 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.57 115.73 31.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.518 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.684 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.3 mt -118.3 126.41 75.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.25 -176.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 6.3 m -115.66 96.59 5.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.697 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.802 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 14.5 p90 -92.41 130.36 38.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.266 0.555 . . . . 0.0 110.637 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.95 126.72 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.766 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.8 p90 -132.97 156.22 47.7 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.773 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -118.03 99.05 6.65 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 171.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.45 -116.13 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.446 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.703 ' HA ' ' HB2' ' A' ' 115' ' ' MET . 32.4 t70 -99.55 -2.09 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -98.33 101.97 13.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.692 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 14.5 t -78.34 115.95 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.55 -31.77 13.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 13.7 ptpt -160.58 164.13 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.802 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 25.7 tt0 -144.34 112.14 6.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.222 -171.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -85.69 100.42 11.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 m -110.55 104.45 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -110.17 108.12 18.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.936 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 19' ' ' ILE . 65.4 m -92.75 115.4 28.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.1 ttmt -96.92 110.06 22.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 17' ' ' THR . 4.6 mp -95.52 120.38 44.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.343 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 29.8 mm-40 -73.16 147.65 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -62.46 -29.64 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.956 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.27 -13.29 59.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.405 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -85.94 -37.12 19.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.219 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 tt -90.86 -29.31 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.802 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.85 34.26 11.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.688 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.56 172.01 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.359 . . . . 0.0 110.602 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -119.14 -53.31 2.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -118.03 176.29 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.269 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -67.79 -23.45 65.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.913 0.387 . . . . 0.0 110.008 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.2 mm-40 -67.84 -59.25 3.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.801 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.51 -16.0 61.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.07 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.216 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.15 86.52 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.619 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 64.0 mttm -66.36 -8.27 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.729 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -98.18 -34.36 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.654 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.58 -25.48 24.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.019 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 23.5 mm-40 -48.28 -54.39 25.89 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.473 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.0 Cg_endo -67.08 -19.03 51.77 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.017 1.811 . . . . 0.0 112.861 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.32 -48.78 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 m -64.09 -29.36 70.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.361 0.6 . . . . 0.0 110.242 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -69.21 2.24 3.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.159 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 99' ' ' ILE . 67.5 mttm -75.55 -31.0 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.044 -0.41 . . . . 0.0 110.631 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.644 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.7 m-85 -75.32 -56.74 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 31.6 mtmt 65.16 -93.07 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.742 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -149.38 40.14 0.84 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.276 0.56 . . . . 0.0 109.835 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 63' ' ' TYR . 68.0 mt -53.49 -42.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.629 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -168.8 -145.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.055 -174.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.48 45.36 2.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.874 171.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.1 m -93.91 111.37 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.316 0.579 . . . . 0.0 110.327 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.01 109.53 21.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.911 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.04 97.82 10.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.072 0.939 . . . . 0.0 109.621 175.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 66.3 mttm -101.8 104.85 15.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.861 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.95 106.19 16.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.493 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 2.5 p -106.69 125.97 51.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -112.54 117.06 31.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.012 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -85.82 -65.92 0.96 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.437 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 t70 178.09 -53.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.43 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.3 m -93.01 -11.84 32.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.381 0.61 . . . . 0.0 111.259 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -152.6 161.79 42.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 111.343 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.42 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.053 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 41.7 mt-30 -104.6 111.67 24.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.77 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.22 90.36 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 49.5 t-20 -82.88 101.02 10.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.77 105.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.413 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.6 m -93.61 103.31 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.06 141.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -175.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.642 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 13.7 t70 -110.97 127.54 55.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.74 -3.03 59.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.501 -171.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.59 -45.9 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.98 0.419 . . . . 0.0 111.008 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -102.27 1.32 35.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 5.8 p -71.88 156.86 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.132 0.491 . . . . 0.0 111.041 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 24.9 t70 -123.24 117.86 26.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.39 -19.53 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.933 0.396 . . . . 0.0 111.055 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 6.1 ttpm? -65.02 -36.28 83.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.779 173.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.37 -24.32 59.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.674 HD23 HD12 ' A' ' 99' ' ' ILE . 71.6 mt -83.58 0.53 46.29 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.415 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -52.66 -51.92 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.023 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.11 17.68 58.84 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.749 HG12 ' HB3' ' A' ' 62' ' ' LYS . 54.9 mt . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.493 . . . . 0.0 110.903 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.641 ' OD2' ' HB3' ' A' ' 117' ' ' GLN . 11.0 t70 . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.11 -33.34 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.877 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.69 -33.98 71.49 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -99.19 -22.79 15.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 133.44 132.53 3.27 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.293 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.54 109.76 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.9 p -114.3 -179.47 3.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.812 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.703 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -66.61 -41.64 88.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.104 -177.361 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.87 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.452 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.641 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -57.35 -63.59 1.17 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.381 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 122' ' ' MET . 29.8 tpp -47.06 -45.99 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.623 0.577 . . . . 0.0 112.368 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 20.3 mm-40 -62.36 -62.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.33 . . . . 0.0 111.768 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.38 -34.31 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.185 0.517 . . . . 0.0 111.231 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.1 t -76.59 -41.53 34.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.162 -175.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.529 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.76 -33.64 71.0 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.988 -0.445 . . . . 0.0 111.212 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 13.5 mptt -73.51 -25.06 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.103 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.03 67.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.377 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.85 76.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.152 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 106.33 33.41 3.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.835 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.529 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 25.4 m-85 -92.03 128.01 37.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -102.31 139.24 38.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.353 . . . . 0.0 110.25 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 51.3 mt-10 -82.23 148.69 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.381 0.61 . . . . 0.0 112.027 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.5 t -93.99 -24.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.463 0.221 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.349 176.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 mp0 -102.92 130.79 50.1 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.325 -171.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -121.46 116.92 25.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.009 0.433 . . . . 0.0 111.011 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HG2' ' HE1' ' A' ' 25' ' ' TYR . 19.7 mmtp -114.45 101.51 9.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.051 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -99.31 113.12 25.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.601 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 5.2 p90 -112.84 161.22 17.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -155.65 124.81 6.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.046 0.45 . . . . 0.0 110.39 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.79 141.83 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.908 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 15.1 t-20 -98.7 98.29 9.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 pp -133.75 142.5 47.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.523 -176.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 t30 63.76 16.97 10.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.578 0.704 . . . . 0.0 110.074 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.22 5.04 89.34 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.271 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.7 p -114.06 138.31 50.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.747 0.308 . . . . 0.0 111.296 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' OE2' ' HD2' ' A' ' 38' ' ' LYS . 4.8 mt-10 -93.44 97.59 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.534 HG12 HG23 ' A' ' 37' ' ' THR . 23.1 mt -93.32 106.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 121.144 0.497 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -114.63 110.77 20.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.003 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 65.0 mt -108.55 124.96 65.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.153 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -101.19 101.72 12.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.861 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -82.07 109.64 16.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 50.8 t -93.71 104.49 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 38.3 p90 -124.34 164.22 20.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.5 115.71 12.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.759 175.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.53 -115.91 5.23 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 110.622 -172.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -113.67 7.55 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.527 0.679 . . . . 0.0 109.363 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -98.29 107.94 20.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.312 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 20.1 t -76.9 113.61 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.0 -39.33 11.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.328 -172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 67.4 mttm -132.18 122.97 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.029 0.443 . . . . 0.0 110.799 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -107.55 96.05 6.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.473 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 50.9 m -85.52 97.76 10.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 109.874 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 16.6 m -97.38 100.32 11.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.048 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.9 mt-10 -98.74 108.67 21.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.198 0.523 . . . . 0.0 110.323 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 19' ' ' ILE . 24.2 m -99.38 104.72 16.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.618 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HD2' ' OE2' ' A' ' 18' ' ' GLU . 33.4 ttmt -87.29 106.02 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -104.55 110.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.001 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.16 151.92 46.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.966 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -66.42 -29.84 70.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -20.03 61.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -88.79 -33.97 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 tt -84.66 -31.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.9 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.54 37.77 7.94 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.2 160.79 14.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.752 0.31 . . . . 0.0 111.212 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 m -97.2 -67.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -121.63 -178.36 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.128 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -69.55 -32.08 70.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.185 -175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.2 mp0 -67.97 -44.03 77.63 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.96 -41.65 87.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.66 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.23 87.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.281 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.66 -45.53 93.62 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.85 -12.33 24.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.458 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.7 m -99.03 -45.71 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.343 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 86.5 mt -86.13 -21.49 27.56 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.59 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 36.0 mt-10 -60.6 -52.72 70.69 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.332 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 50.0 Cg_exo -51.18 -33.53 44.64 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.598 2.199 . . . . 0.0 112.612 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 37.6 tp -65.12 -61.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.099 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m -64.06 -20.93 66.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.932 0.396 . . . . 0.0 111.172 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -1.86 7.17 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.115 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -59.12 -44.04 92.0 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.645 0.259 . . . . 0.0 110.785 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.2 m-85 -64.19 -51.71 62.45 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.257 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttp 70.57 -80.43 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.601 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -157.23 44.04 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.9 mt -56.2 -42.37 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.436 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 90' ' ' LYS . . . -167.36 -147.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.828 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.9 53.42 2.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 86' ' ' ILE . 22.5 m -98.4 122.55 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.133 0.492 . . . . 0.0 109.92 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HG2' ' HB ' ' A' ' 85' ' ' THR . 14.6 pt-20 -116.84 116.19 26.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.563 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.84 99.18 9.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.987 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -101.58 106.99 18.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.498 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 86.9 mt -87.07 114.42 23.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.97 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 46.6 p -101.27 118.77 37.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 97.7 m-85 -110.94 102.06 10.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 m -77.19 -66.75 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 177.06 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 p -90.14 -15.23 31.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.088 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -150.61 158.1 43.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.207 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.14 127.9 45.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.563 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 51.7 tt0 -113.32 124.33 52.23 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.329 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.635 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 32.3 mt-10 -84.04 92.66 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.3 t-20 -80.37 89.99 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' GLU . 36.9 t -102.89 140.14 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.218 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 64.7 m -130.28 105.45 7.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.931 0.396 . . . . 0.0 110.054 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.732 ' HA ' HG12 ' A' ' 69' ' ' VAL . 55.9 mt -95.25 111.66 26.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.251 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.54 ' OD2' ' HG3' ' A' ' 90' ' ' LYS . 20.4 t70 -82.35 117.73 22.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 91' ' ' VAL . 24.6 mmt -87.35 -2.91 58.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.729 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.22 -19.16 36.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.184 0.516 . . . . 0.0 109.785 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 14.7 mtpp -127.64 -1.44 6.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.253 -175.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 9.5 p -72.08 134.41 29.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.729 0.776 . . . . 0.0 111.414 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 13.6 t70 -91.28 118.89 30.87 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.295 176.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 95.3 m-85 -82.0 -6.48 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.841 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 61.5 tttp -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.78 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.095 172.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 52.7 mt -73.24 1.0 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.244 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.788 ' HA ' ' HE3' ' A' ' 110' ' ' LYS . 8.8 tt0 -66.96 -27.51 67.52 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 171.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -115.67 -8.8 13.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.617 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.693 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.901 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.924 0.392 . . . . 0.0 110.567 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.42 -4.31 59.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.229 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.788 ' HE3' ' HA ' ' A' ' 97' ' ' GLN . 47.1 mmtm -93.05 -41.75 9.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.446 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.901 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 60.1 pttt -71.04 -33.91 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.894 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.73 141.14 4.22 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.456 HG23 ' SD ' ' A' ' 118' ' ' MET . 31.1 mm -103.99 120.21 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.499 . . . . 0.0 111.518 -176.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -128.22 -177.52 4.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.4 tpt -77.51 -22.23 51.51 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.151 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.19 60.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.21 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.94 -66.33 0.44 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.746 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.603 ' O ' ' HG2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -44.54 -51.59 8.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -176.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.87 -54.92 40.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.555 0.616 . . . . 0.0 111.766 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' LEU . 2.7 tm? -69.16 -33.33 73.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.45 0.643 . . . . 0.0 110.46 -175.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -76.98 -38.48 28.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.679 -174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.603 ' HG2' ' O ' ' A' ' 118' ' ' MET . 33.0 mmt -63.29 -42.07 99.05 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.72 -43.7 98.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.748 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.35 85.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.393 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.06 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.384 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.6 31.42 7.47 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.172 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.405 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 23.4 m-85 -83.18 139.81 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' A' ' 128' ' ' LYS . 16.0 ptpt -102.02 133.82 46.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -85.16 135.58 33.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.262 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.38 -41.76 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.762 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? . . . . . 0 C--O 1.234 0.284 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.966 -175.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.475 ' HG3' ' HD2' ' A' ' 26' ' ' LYS . 6.7 mp0 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -97.8 162.59 13.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.324 -171.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 t -129.88 126.5 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.23 0.538 . . . . 0.0 111.359 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 5.4 mmmm -113.17 131.89 55.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.142 172.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -126.3 122.66 36.09 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.148 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.714 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 2.7 p90 -126.01 162.07 26.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 9.9 t -152.88 116.02 4.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.172 0.511 . . . . 0.0 109.827 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.02 109.46 20.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.809 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.481 ' N ' HD22 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -89.63 87.82 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.564 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 pp -114.36 132.33 56.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.67 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 73.65 -32.0 0.23 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.716 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 147.75 -11.88 1.29 Allowed Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.412 ' CG2' HG12 ' A' ' 39' ' ' ILE . 86.1 m -97.67 133.91 41.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.599 0.237 . . . . 0.0 110.732 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 29.5 mt-10 -88.57 109.6 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' SER . 47.7 mt -90.93 96.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.5 102.18 11.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.728 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.714 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 51.9 mt -101.51 101.62 12.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.294 0.569 . . . . 0.0 109.992 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -94.67 94.28 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.973 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 19.5 p90 -100.78 131.7 46.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.607 0.718 . . . . 0.0 111.583 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.4 123.32 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.903 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE1' ' HG2' ' A' ' 8' ' ' LYS . 27.5 p90 -126.12 158.9 34.31 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.069 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 70.6 tttt -141.79 115.23 8.95 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.18 -134.52 29.19 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -169.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -103.8 68.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.546 0.673 . . . . 0.0 109.462 173.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -167.17 122.73 1.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.098 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 15.4 t -89.99 120.53 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -102.25 -21.98 14.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.626 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -140.66 120.1 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.746 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 51.9 tt0 -107.65 100.02 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.419 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 8.5 m -88.88 96.3 10.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.897 0.38 . . . . 0.0 110.419 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HG12 ' A' ' 21' ' ' ILE . 14.3 m -97.14 101.75 13.38 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 2.7 mt-10 -110.98 112.04 23.58 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.626 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 20.5 p -95.47 106.05 18.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.219 0.533 . . . . 0.0 111.135 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 29.4 ttmt -87.48 93.0 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.915 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.568 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 31.6 mt -91.75 127.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 42' ' ' ALA . 30.9 mm-40 -80.4 150.98 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.26 25.3 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.745 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 40' ' ' GLN . . . -126.54 -4.86 6.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.125 0.488 . . . . 0.0 110.097 174.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -118.54 -18.46 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 8.1 tt -87.61 -38.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.076 -174.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.8 35.36 5.4 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -172.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.38 126.61 50.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.612 -0.294 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 48' ' ' THR . 12.3 t -100.81 -15.06 17.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.203 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 47' ' ' THR . 61.5 p -138.6 172.27 13.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -39.74 89.11 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.534 0.683 . . . . 0.0 109.487 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.9 -35.92 64.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.036 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' HB2' ' H ' ' A' ' 48' ' ' THR . 4.9 m-20 -62.41 -40.58 96.98 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.176 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.84 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -64.71 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.897 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 51' ' ' ASP . 7.7 ttpm? -57.48 -24.05 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.995 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 61.4 m -93.12 -45.99 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.546 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 59' ' ' LEU . 69.7 mt -81.97 -30.5 31.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 56.0 mt-10 -57.15 -53.72 62.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.396 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 30.2 Cg_endo -64.83 -22.55 63.37 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.863 1.709 . . . . 0.0 112.669 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 56' ' ' LEU . 68.9 mt -74.65 -53.77 8.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.728 0.299 . . . . 0.0 110.497 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -64.64 -31.16 72.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.476 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -7.74 34.36 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.09 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' HD23 ' A' ' 59' ' ' LEU . 68.9 mttm -69.84 -26.15 64.09 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.407 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.8 m-85 -71.43 -55.14 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm 66.47 39.78 3.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.26 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m120 57.72 57.98 3.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.746 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ASP . 67.8 mt -53.26 -72.63 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.547 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -156.42 102.69 2.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.1 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.73 53.9 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.443 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 86' ' ' ILE . 16.4 m -85.39 118.97 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.763 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 42.5 mt-10 -93.54 92.7 7.7 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.774 175.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.64 94.03 9.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.87 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 65.6 mttm -115.08 123.6 49.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.831 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.93 111.77 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 42.5 p -101.77 113.67 27.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 0.0 110.447 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.499 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 94.6 m-85 -108.64 103.51 12.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 5.1 m -79.43 -72.52 0.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 76' ' ' THR . 23.0 t70 174.0 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.595 175.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m -90.1 -13.24 36.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -154.1 153.8 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.45 126.15 38.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.318 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.536 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 42.6 tt0 -110.9 115.2 29.1 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.018 0.437 . . . . 0.0 110.632 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 44.4 tt0 -85.24 93.58 8.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -86.61 101.83 13.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.63 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 82' ' ' GLU . 28.7 t -113.64 104.6 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.106 0.479 . . . . 0.0 111.213 -176.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.9 m -98.26 105.44 17.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.634 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.735 ' HA ' HG12 ' A' ' 69' ' ' VAL . 5.2 mp -92.75 125.64 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.646 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 91' ' ' VAL . 18.2 t70 -84.94 115.9 23.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.539 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 33.0 mtp -94.04 14.86 18.51 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.87 -169.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -102.17 -5.1 24.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.968 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.8 ttmm -139.28 2.01 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.507 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -47.8 129.44 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.604 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HB3' HG23 ' A' ' 66' ' ' ILE . 24.6 t70 -98.32 98.12 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.92 170.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -71.45 -12.42 61.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.916 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.62 -47.19 86.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.328 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.78 -46.25 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.744 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.55 -23.98 65.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.854 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.09 -27.22 31.7 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.104 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 117.09 0.445 . . . . 0.0 111.37 -173.348 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.937 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 5.5 t70 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 121.009 0.433 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -57.16 -39.91 76.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -82.94 4.08 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.937 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 61.1 mttm -78.01 -34.39 50.75 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.588 0.709 . . . . 0.0 109.323 171.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.61 94.99 2.38 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -166.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 109' ' ' ALA . 43.5 mm -63.07 127.1 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.688 0.756 . . . . 0.0 112.073 -168.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.8 p -107.28 -173.64 2.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.684 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -74.32 -43.83 55.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.51 -45.07 85.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.469 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.587 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 36.1 mt-30 -59.47 -59.12 5.95 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.507 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -46.99 -50.21 19.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.441 0.463 . . . . 0.0 112.173 -178.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.52 -57.99 10.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 111.69 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.07 -36.99 80.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 111.422 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -75.4 -39.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.97 -174.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.6 -38.11 73.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.854 0.359 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.6 -12.32 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.936 0.398 . . . . 0.0 110.236 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.8 -27.99 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.957 171.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.15 59.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.928 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.3 16.59 60.36 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.968 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -90.99 154.7 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 13.3 ptmm? -118.24 143.28 46.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.781 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 23.5 mt-10 -73.81 147.61 43.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.681 177.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.18 -17.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp . . . . . 0 C--O 1.234 0.24 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.151 -179.212 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 39.0 mt-10 -99.39 140.77 33.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.299 -164.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 36.5 m -102.74 142.3 34.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.287 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' THR . 84.5 tttt -144.43 132.56 21.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.843 177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 9.3 tppt? -108.61 128.84 55.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.467 . . . . 0.0 111.274 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 1.5 p90 -127.34 147.35 50.25 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 165.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.622 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 23.2 t -142.86 106.39 4.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.764 0.316 . . . . 0.0 110.223 -174.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.02 46.66 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -93.21 96.02 9.74 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.14 96.21 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.278 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 70.96 -54.28 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.952 0.901 . . . . 0.0 111.544 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.524 ' HA3' ' OG ' ' A' ' 43' ' ' SER . . . -169.43 26.62 0.12 Allowed Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 39' ' ' ILE . 3.6 m -122.86 99.5 6.42 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 3.5 mt-10 -83.04 92.98 7.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.0 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -91.38 108.66 20.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.749 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 106.27 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.494 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.658 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -110.58 128.62 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.157 0.503 . . . . 0.0 111.034 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 4.1 m -112.12 116.98 31.37 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.834 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' A' ' 7' ' ' SER . 18.3 m-85 -81.29 147.05 30.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 49.6 t -119.88 95.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 163.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.538 ' HB3' HG22 ' A' ' 30' ' ' VAL . 51.2 p90 -109.68 138.68 45.69 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.966 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -113.6 99.22 7.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.369 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.35 -116.05 4.82 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -172.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -111.61 30.68 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.593 0.711 . . . . 0.0 109.697 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -127.0 110.33 12.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.238 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 25' ' ' TYR . 15.3 t -80.16 95.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 89.7 mt -91.24 -9.08 46.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.548 -170.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 38.8 mttp -151.87 136.39 16.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.68 0.276 . . . . 0.0 110.433 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.693 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 8.7 tt0 -125.83 119.7 28.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -102.33 99.04 9.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.037 0.446 . . . . 0.0 110.242 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -103.47 117.14 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.702 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 41.9 mt-10 -115.27 107.02 14.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.188 0.518 . . . . 0.0 110.181 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.576 HG23 HG12 ' A' ' 19' ' ' ILE . 30.9 m -90.19 112.41 23.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.983 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 39.2 tttm -99.9 97.76 8.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.215 0.531 . . . . 0.0 110.281 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.445 HG13 HG23 ' A' ' 17' ' ' THR . 4.0 mp -93.34 128.24 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.502 -176.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.88 133.34 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 49' ' ' LYS . 10.5 m-30 -61.57 -33.36 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -174.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.39 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.524 ' OG ' ' HA3' ' A' ' 16' ' ' GLY . 11.4 m -91.3 -43.5 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 41' ' ' PHE . 9.7 tt -70.88 -26.37 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.23 24.25 17.22 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.939 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -102.56 129.79 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.866 0.365 . . . . 0.0 110.532 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.9 m -82.76 -47.26 12.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.203 0.525 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' GLU . 26.9 m -107.19 155.99 19.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.602 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.7 ttpm? -52.57 -44.23 65.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.486 . . . . 0.0 110.817 174.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' H ' HG22 ' A' ' 48' ' ' THR . 2.2 mm-40 -67.79 -28.38 67.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.408 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.82 -30.21 63.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.937 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.54 -35.4 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.519 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.57 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -57.57 -18.87 21.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.8 m -98.35 -42.94 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.3 mt -79.72 -36.24 37.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.609 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 56.3 mm-40 -51.93 -53.66 49.0 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 46.0 Cg_exo -52.83 -37.95 77.53 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.355 2.037 . . . . 0.0 113.559 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 55' ' ' THR . 8.7 mp -69.68 -53.87 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -170.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -65.11 -29.52 70.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.756 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.29 -0.31 3.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.797 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.683 ' HB3' HG12 ' A' ' 99' ' ' ILE . 94.1 mttt -87.25 0.58 55.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 175.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 66' ' ' ILE . 45.7 m-85 -112.52 -17.87 12.55 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.614 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 1.4 pptp? -51.81 115.07 1.48 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.522 0.677 . . . . 0.0 112.612 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.6 m120 65.68 30.78 10.18 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.587 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 62' ' ' LYS . 39.5 mt -73.4 -33.28 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.864 0.84 . . . . 0.0 109.508 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.86 -149.08 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.436 -1.256 . . . . 0.0 108.0 -175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.39 54.05 2.35 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.337 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 86' ' ' ILE . 3.7 m -110.21 124.92 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.178 0.513 . . . . 0.0 110.874 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.41 116.12 27.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -93.11 125.03 37.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 83' ' ' ASN . 66.0 mttp -130.73 96.19 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.87 0.367 . . . . 0.0 110.502 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.514 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 74.3 mt -83.53 105.92 14.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.277 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.5 p -106.64 109.98 22.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.42 0.628 . . . . 0.0 110.807 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 62.6 m-85 -99.15 134.99 41.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.0 p -101.83 -77.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.048 0.451 . . . . 0.0 110.726 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -174.16 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.217 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m -109.89 -23.9 11.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -143.91 166.48 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.8 140.46 44.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' THR . 23.7 mt-30 -117.27 122.74 44.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.916 0.389 . . . . 0.0 111.487 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 31.2 mt-10 -84.9 90.47 7.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 169.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 13.7 m120 -78.82 94.17 5.12 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 t -111.52 128.85 67.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.166 0.508 . . . . 0.0 111.409 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.687 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.5 m -110.88 111.4 22.52 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HA ' HG12 ' A' ' 69' ' ' VAL . 72.5 mt -110.29 107.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.8 t70 -69.34 126.94 31.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 78.8 mtp -107.12 17.18 23.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 31' ' ' LEU . 45.4 mt-10 -94.93 -34.87 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -115.07 22.36 13.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.45 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -52.38 110.27 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 121.105 0.479 . . . . 0.0 111.168 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.8 89.25 5.8 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 70.5 m-85 -65.68 -15.81 63.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -66.01 -48.09 72.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.541 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.5 49.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.716 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 33.0 mt -60.41 -19.18 55.18 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.44 -21.94 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.834 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.43 -2.68 63.49 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.683 HG12 ' HB3' ' A' ' 62' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.756 0.278 . . . . 0.0 110.365 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.617 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -59.65 -52.57 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.848 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -85.11 4.22 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -97.16 -32.22 12.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.22 115.61 1.68 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 109' ' ' ALA . 27.1 mm -85.31 137.31 21.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.364 0.602 . . . . 0.0 111.587 -174.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.48 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 66.6 p -127.14 -172.44 2.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.729 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.78 -47.51 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.13 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.48 ' HB2' ' H ' ' A' ' 114' ' ' THR . 3.7 tp60 -54.94 -71.81 0.08 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.696 173.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -55.94 -30.67 62.04 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -59.07 -62.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.474 . . . . 0.0 110.53 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.08 -41.36 98.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.628 0.728 . . . . 0.0 111.5 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.7 t -79.38 -48.13 21.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 114.674 -1.148 . . . . 0.0 112.354 -169.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.706 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -72.18 -33.52 67.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 0.0 111.079 -179.106 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.18 -21.23 54.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.442 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.5 70.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 110.409 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.18 -15.35 62.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.836 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.22 37.04 25.8 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.167 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 122' ' ' MET . 22.7 m-85 -78.73 161.87 26.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.396 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' A' ' 11' ' ' SER . 87.8 tttt -91.92 101.0 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.162 0.506 . . . . 0.0 109.845 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -85.83 126.54 34.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.176 -174.359 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 131' ' ' LYS . 42.9 t -117.85 -20.7 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 129' ' ' GLU . 13.7 mptt . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -165.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.149 0.499 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 66.4 mt-10 -97.69 137.27 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -95.45 111.69 23.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -114.1 115.53 27.69 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 37.0 ttpt -107.23 147.35 30.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 21' ' ' ILE . 3.8 p90 -126.62 144.47 50.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 164.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -137.83 106.55 5.9 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.027 0.442 . . . . 0.0 110.396 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.33 122.97 41.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 18' ' ' GLU . 5.4 t30 -80.94 93.91 6.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.35 84.28 7.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.824 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 62.52 8.27 2.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.862 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.61 -44.64 0.62 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.909 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 HG12 ' A' ' 39' ' ' ILE . 1.9 p -82.28 118.88 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.933 0.396 . . . . 0.0 110.842 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.6 mt-10 -86.41 96.06 9.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.329 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.532 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -93.03 110.29 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.263 0.554 . . . . 0.0 110.992 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.93 108.91 19.34 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.35 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 43.8 mt -112.85 113.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.089 -177.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.44 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 7.8 m -104.93 108.53 20.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.683 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -106.0 120.51 41.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.415 0.626 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 93.1 t -91.48 121.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.501 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 28.2 p90 -119.31 154.47 33.46 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.459 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 4.0 ttmp? -123.42 94.96 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.08 -116.2 4.22 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.995 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.52 -12.31 29.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.796 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' A' ' 31' ' ' LEU . 16.6 ttmm -112.67 121.77 45.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -170.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.6 t -76.16 133.22 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.545 HD22 ' HG2' ' A' ' 89' ' ' GLU . 94.7 mt -121.41 -3.2 9.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -166.27 117.19 0.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.911 0.386 . . . . 0.0 111.23 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -111.41 103.97 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -90.02 100.71 13.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.27 0.557 . . . . 0.0 110.363 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' HG12 ' A' ' 21' ' ' ILE . 6.1 m -105.08 113.08 26.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.222 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.6 tt0 -114.38 111.15 21.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.235 0.54 . . . . 0.0 110.266 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 19.6 m -89.48 108.46 19.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.029 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.3 tttm -87.15 108.38 18.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.476 0.655 . . . . 0.0 109.863 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 17' ' ' THR . 45.1 mt -107.9 133.49 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.453 -173.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.55 139.65 30.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.033 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.97 -31.8 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.34 63.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.406 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -88.77 -43.13 11.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 0.0 110.393 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 tt -79.05 -18.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.973 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.16 38.01 16.59 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.407 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.56 116.24 31.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.32 . . . . 0.0 110.339 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 -14.04 51.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.765 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -151.57 176.42 11.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.089 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.91 -35.58 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.12 -43.35 95.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.967 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.525 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 1.1 m-20 -60.37 -37.0 79.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.82 -53.53 17.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -62.07 -46.4 89.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.064 -176.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 63.5 pttt -59.8 -19.24 49.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.785 0.326 . . . . 0.0 111.285 -176.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' HD13 ' A' ' 59' ' ' LEU . 16.6 m -99.13 -41.75 7.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.341 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.09 -31.53 23.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 47.7 mt-10 -60.3 -50.86 83.92 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 26.2 Cg_endo -64.2 -14.2 42.39 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.852 1.702 . . . . 0.0 112.51 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 55' ' ' THR . 6.9 mp -84.88 -50.75 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.713 0.292 . . . . 0.0 110.326 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 73' ' ' LEU . 8.7 p -70.12 -16.06 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.08 62.38 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -75.04 -4.94 41.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -114.24 22.41 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -105.88 -5.54 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -133.89 11.85 3.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.616 HG21 ' HG ' ' A' ' 96' ' ' LEU . 37.2 mt -92.7 -90.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.048 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.48 -146.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.357 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.88 52.91 2.5 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -92.94 112.97 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.447 0.642 . . . . 0.0 110.902 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 49.2 mt-10 -96.62 148.49 22.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.607 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.36 151.95 50.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 111.256 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 21.2 mtpp -144.26 100.03 3.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 60' ' ' SER . 85.4 mt -80.83 99.72 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.72 108.82 17.62 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 -174.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -114.27 120.03 39.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.092 0.472 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.7 m -69.2 -58.44 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 179.07 -48.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.03 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -95.79 -19.22 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.182 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -146.71 158.03 43.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.864 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.87 136.64 54.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.572 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -104.98 112.25 25.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 40.4 tt0 -91.63 82.48 5.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 26.0 t-20 -83.03 106.83 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.57 109.69 29.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 111.086 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 92.3 m -95.81 102.77 14.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.13 0.491 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.721 ' HA ' HG12 ' A' ' 69' ' ' VAL . 64.9 mt -94.93 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.2 t70 -74.6 122.12 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.095 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.67 ' HA ' HG13 ' A' ' 91' ' ' VAL . 58.8 mtt -98.82 16.17 23.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.495 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.545 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.7 mt-10 -98.89 -19.89 17.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 0.0 110.251 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -131.19 26.87 4.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.181 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -57.16 139.8 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.444 0.64 . . . . 0.0 112.702 -178.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -110.56 98.98 8.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.137 171.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.563 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 88.1 m-85 -76.53 -1.42 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 110.606 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -70.0 -51.41 32.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.841 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -70.74 -43.61 68.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.143 0.497 . . . . 0.0 110.071 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 66' ' ' ILE . 24.1 mt -68.36 -9.19 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.35 -44.28 92.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.34 -27.18 10.19 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.593 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.404 ' OD2' ' HG3' ' A' ' 117' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 111.305 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.76 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -72.63 -19.14 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.318 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -89.38 -52.51 5.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.521 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 152.14 119.72 0.83 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.083 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.2 mm -83.45 124.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 111.397 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -127.2 -176.55 3.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.483 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.492 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 2.6 tpt -65.61 -48.6 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.472 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.2 67.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.404 ' HG3' ' OD2' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -58.63 -66.8 0.44 Allowed 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.659 176.009 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.519 ' O ' ' HB2' ' A' ' 122' ' ' MET . 6.2 ttm -54.38 -34.92 62.19 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 5.6 mm-40 -59.99 -64.01 1.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.022 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.19 -36.16 81.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.489 0.662 . . . . 0.0 111.145 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 6.8 t -75.13 -47.75 34.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.025 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -71.04 -33.76 70.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.135 -0.353 . . . . 0.0 111.235 -178.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 30.3 mtpp -71.12 -27.69 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 0.0 110.165 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.62 61.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.59 -6.19 58.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.81 29.39 54.85 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.182 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.464 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 17.4 m-85 -83.67 146.57 28.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.52 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -99.76 118.47 36.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.512 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.46 96.63 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.765 0.793 . . . . 0.0 111.353 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.02 104.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.495 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.9 mttp . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.371 -178.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.0 mm-40 -98.32 133.65 42.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.732 -169.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -109.48 117.83 35.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 32.6 mtpt -113.33 110.42 20.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.56 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' A' ' 22' ' ' THR . 21.2 ttmm -106.87 97.76 7.51 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.775 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 6.4 p90 -94.57 142.35 27.54 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 33.0 t -143.05 123.11 13.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.154 0.502 . . . . 0.0 110.598 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.92 126.12 43.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.447 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.401 HD22 ' HG2' ' A' ' 18' ' ' GLU . 20.8 t-20 -76.52 106.35 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.321 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -83.49 -156.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.78 -58.32 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.878 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.14 7.27 4.39 Favored Glycine 0 C--N 1.311 -0.818 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.677 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 39' ' ' ILE . 39.0 m -136.58 117.92 14.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 42.6 mt-10 -87.19 117.59 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 175.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' SER . 62.1 mt -100.83 108.18 22.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.908 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -113.27 109.45 18.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.751 175.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.686 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 54.5 mt -108.18 111.17 34.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.805 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.0 m -94.77 96.25 9.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.708 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -104.0 133.1 49.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.693 0.758 . . . . 0.0 111.058 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 74.9 t -104.48 113.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.478 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 45.1 p90 -112.78 154.56 26.03 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.438 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -133.05 90.49 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 -117.16 4.35 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.168 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -11.85 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.369 . . . . 0.0 110.683 175.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.3 tmtm? -94.25 112.62 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.032 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 11.3 t -79.65 119.11 28.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' HD2' ' A' ' 29' ' ' LYS . 95.9 mt -100.73 -17.55 16.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -169.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 51.6 tttp -153.35 141.64 20.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.56 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.08 148.12 52.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.567 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 50.7 m -140.3 99.02 3.56 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.045 0.45 . . . . 0.0 110.069 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HG12 ' A' ' 21' ' ' ILE . 46.5 m -97.49 97.56 9.19 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.484 0.659 . . . . 0.0 109.735 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -99.83 112.74 24.98 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.548 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 29.9 p -103.35 122.79 45.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.101 0.477 . . . . 0.0 111.367 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.538 ' HG3' ' CD1' ' A' ' 79' ' ' TYR . 4.1 ttmp? -94.22 99.53 11.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 17' ' ' THR . 4.6 mp -96.75 117.54 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.465 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.38 143.92 46.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.432 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 7.0 m-30 -62.3 -24.74 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.507 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.79 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -88.0 -23.17 23.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.399 . . . . 0.0 110.551 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' A' ' 55' ' ' THR . 3.4 tt -98.11 -27.49 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.784 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.78 30.64 14.53 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.369 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.6 39.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.929 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.7 p -83.73 -29.4 27.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.605 0.716 . . . . 0.0 110.222 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 50' ' ' GLU . 14.4 t -156.12 -174.12 4.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.136 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -64.07 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.644 ' H ' HG23 ' A' ' 48' ' ' THR . 30.7 tt0 -60.28 -57.48 12.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.568 0.223 . . . . 0.0 110.503 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.51 -36.29 75.8 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.076 0.465 . . . . 0.0 110.329 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.79 76.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.315 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.82 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.688 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' HG2' ' A' ' 50' ' ' GLU . 36.0 mtpt -49.72 -32.1 12.77 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.585 ' HB ' HD11 ' A' ' 44' ' ' ILE . 4.4 m -99.49 -42.97 6.71 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 79.7 mt -89.08 -15.03 34.95 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -171.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 31.9 mm-40 -62.56 -55.56 37.98 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 122.204 -0.31 . . . . 0.0 110.726 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 53.0 Cg_exo -54.92 -28.02 56.85 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 122.079 1.853 . . . . 0.0 112.321 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 28.7 tp -66.14 -58.34 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.596 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p -78.2 -17.37 56.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.502 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.2 2.58 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 99' ' ' ILE . 61.7 mttp -78.6 -25.76 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.57 0.224 . . . . 0.0 110.712 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -96.87 22.18 8.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.49 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.69 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -174.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t30 47.11 64.14 1.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.593 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 62' ' ' LYS . 28.9 mt -85.7 -28.6 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.084 0.945 . . . . 0.0 108.635 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -165.62 -146.7 0.09 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.985 -1.462 . . . . 0.0 107.998 -175.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.27 45.85 2.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.402 172.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 86' ' ' ILE . 4.3 m -104.82 127.11 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 121.014 0.435 . . . . 0.0 110.967 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.45 110.27 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.474 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 93.92 9.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 174.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 19.2 ttmt -111.41 96.29 6.02 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.342 -169.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 42.4 mt -84.82 106.55 16.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.506 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -101.8 117.61 35.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.153 0.502 . . . . 0.0 110.147 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -84.72 109.91 18.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -82.37 -66.27 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 t70 173.33 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.072 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 m -93.87 -16.01 24.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.357 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' HG3' ' A' ' 38' ' ' LYS . 48.1 p90 -150.29 170.89 17.93 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.22 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.27 130.59 56.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.645 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.81 108.4 20.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.642 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.5 tt0 -91.53 86.74 6.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.29 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -80.36 95.54 6.41 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HG2' ' A' ' 82' ' ' GLU . 46.7 t -98.52 108.21 21.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.944 0.402 . . . . 0.0 111.023 -175.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 10.4 m -92.04 98.61 11.66 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.873 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.5 mt -93.41 112.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' HB3' HG13 ' A' ' 91' ' ' VAL . 17.6 t70 -68.32 162.85 24.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.469 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.419 ' HB2' ' C ' ' A' ' 31' ' ' LEU . 42.3 mtt -136.73 18.7 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -115.43 -40.62 3.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -114.28 10.59 17.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.861 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -79.03 179.38 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.077 0.941 . . . . 0.0 113.433 -176.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.59 104.65 5.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.562 170.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -64.79 -25.81 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.555 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.08 -52.81 63.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.128 0.49 . . . . 0.0 109.991 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.84 -27.15 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.274 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 99' ' ' ILE . 72.7 mt -83.17 -12.41 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.67 -43.99 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.526 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.69 16.18 51.86 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 62' ' ' LYS . 47.2 mm . . . . . 0 C--N 1.325 -0.497 0 CA-C-O 120.709 0.29 . . . . 0.0 111.385 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.656 0.265 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.23 -45.39 48.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.694 0.283 . . . . 0.0 111.254 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.13 -20.88 33.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.469 . . . . 0.0 110.977 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.77 136.88 9.37 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.167 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.71 120.21 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.232 0.539 . . . . 0.0 111.409 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.62 168.66 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.248 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.9 tpt -69.65 -40.53 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.04 69.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -58.99 -66.0 0.58 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.474 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 20.6 mmt -44.9 -47.08 11.21 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -56.34 -57.24 13.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.536 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.79 -27.66 62.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 111.662 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.8 -42.64 19.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.385 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.553 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -69.31 -37.38 77.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.952 0.405 . . . . 0.0 110.328 176.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -70.54 -27.78 64.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.265 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.456 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.03 1.81 54.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.53 46.01 87.1 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.333 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.553 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 29.0 m-85 -78.0 158.79 29.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.909 0.385 . . . . 0.0 110.393 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -108.48 106.06 15.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.48 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 13.8 mt-10 -91.23 121.26 32.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.402 0.62 . . . . 0.0 112.055 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.29 110.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.622 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 131' ' ' LYS . 36.4 mtpt . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.482 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.384 0.611 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 45.7 mt-10 -97.72 137.45 36.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.493 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 t -97.72 112.14 24.15 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HD2' ' HB3' ' A' ' 131' ' ' LYS . 9.9 tptm -113.64 95.18 5.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.761 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.3 ttmm -95.63 123.88 39.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.731 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 3.1 p90 -106.69 139.86 40.46 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 29.7 t -136.57 131.23 33.51 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.81 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.95 128.86 33.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.751 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 1.6 m-20 -104.16 99.13 8.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -175.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 pp -138.15 140.12 39.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 111.724 -174.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.2 t30 59.53 27.0 16.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.375 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' HG ' ' A' ' 43' ' ' SER . . . 74.24 13.85 81.06 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.19 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 HG13 ' A' ' 39' ' ' ILE . 11.3 m -118.39 98.62 6.36 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' A' ' 38' ' ' LYS . 5.9 mt-10 -83.46 96.24 8.51 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 63.7 mt -91.68 125.23 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 -172.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -135.92 102.95 5.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.416 0.627 . . . . 0.0 110.501 174.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.731 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 75.9 mt -93.56 114.95 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.813 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.0 m -103.07 100.62 10.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.901 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 17.6 p90 -106.46 127.94 53.68 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.411 0.624 . . . . 0.0 111.051 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 30.0 t -94.03 118.62 40.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.294 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -127.89 164.58 21.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.269 0.557 . . . . 0.0 111.72 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE3' HD12 ' A' ' 31' ' ' LEU . 17.0 mtmt -142.55 99.6 3.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.412 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.58 -141.41 20.36 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -86.92 5.85 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.175 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' HD23 ' A' ' 31' ' ' LEU . 5.3 tmtt? -108.46 112.23 24.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.519 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.92 127.03 39.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.623 HD23 ' HD2' ' A' ' 29' ' ' LYS . 84.5 mt -109.85 -33.42 6.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.763 0.316 . . . . 0.0 111.455 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 38.4 mmtm -131.48 147.7 52.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.77 0.319 . . . . 0.0 110.969 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.579 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 64.7 tt0 -136.12 139.54 43.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 m -123.81 111.51 16.19 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 m -97.49 99.61 11.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 8.0 tt0 -115.02 108.44 16.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.367 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.725 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 19.4 p -111.41 136.98 49.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.858 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 77.5 tttt -107.86 99.66 9.1 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 HG23 ' A' ' 17' ' ' THR . 4.8 mp -96.03 120.61 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -73.45 143.57 46.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.015 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -58.81 -32.79 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 111.398 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.98 69.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.261 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.437 ' HG ' ' HA3' ' A' ' 16' ' ' GLY . 38.2 m -79.09 -43.78 23.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.176 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.53 HG23 ' H ' ' A' ' 46' ' ' ALA . 7.2 tt -73.35 -25.71 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.78 24.08 58.8 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.723 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -75.4 147.08 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -84.36 -49.38 8.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.448 ' H ' ' HB3' ' A' ' 51' ' ' ASP . 36.7 p -138.61 -178.44 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.98 177.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.63 -31.89 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.57 -43.86 68.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.04 0.448 . . . . 0.0 110.064 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.484 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 34.0 t70 -64.49 -30.47 71.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.357 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.67 93.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.22 79.48 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.61 -12.82 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.408 ' HB ' HD11 ' A' ' 44' ' ' ILE . 24.6 m -98.75 -43.79 6.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.16 -37.51 26.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 21.3 mt-10 -52.49 -53.8 49.49 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 85.8 Cg_exo -44.77 -31.85 5.51 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.136 2.557 . . . . 0.0 113.681 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.3 -59.97 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.691 0.281 . . . . 0.0 110.948 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m -65.93 -27.49 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.964 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.15 -3.6 24.22 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.526 ' HB3' HD13 ' A' ' 99' ' ' ILE . 64.1 mttp -75.28 -14.7 60.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.515 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.5 m-85 -84.26 -29.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.401 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -75.98 34.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -167.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.45 -12.51 4.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.2 171.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.767 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.3 mt -89.54 -168.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.488 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.767 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -98.26 129.61 44.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.482 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . 61.39 25.36 64.85 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.389 173.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.1 m -105.41 136.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.082 0.468 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -134.28 103.35 5.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.286 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 3.0 pm0 -85.26 98.48 10.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.761 0.791 . . . . 0.0 110.77 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -100.11 102.32 13.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.094 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 92.9 mt -95.11 105.5 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.846 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -101.88 109.53 21.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.16 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 98.7 m-85 -103.88 138.58 40.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -119.02 -159.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 170.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.56 -6.93 24.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.581 0.705 . . . . 0.0 109.562 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 m -112.77 -39.67 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.66 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -149.81 168.73 22.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 111.198 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.93 44.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.04 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 60.8 tt0 -100.77 115.03 29.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.035 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.725 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.0 tt0 -94.43 97.5 10.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -105.85 97.86 7.63 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 82' ' ' GLU . 57.4 t -108.15 133.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 -173.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 5.5 m -100.04 142.18 31.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 69.4 mt -138.04 126.21 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 21.8 t70 -94.66 106.67 18.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.381 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.554 ' HA ' HG12 ' A' ' 91' ' ' VAL . 29.2 mtt -79.8 17.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.387 -176.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -104.34 -19.87 13.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -140.25 -6.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 88' ' ' MET . 10.4 p -58.75 139.57 18.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.31 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -101.38 114.96 29.43 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 97.9 m-85 -75.21 -15.29 60.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.478 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 1.3 tmmt? -74.6 -27.83 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.406 174.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.68 -27.79 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.299 0.571 . . . . 0.0 109.752 172.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 21.4 mt -76.11 1.21 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 174.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 6.3 tp60 -41.09 -44.88 2.58 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.728 0.811 . . . . 0.0 112.167 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.53 19.25 7.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.75 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 62' ' ' LYS . 13.2 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.768 0.794 . . . . 0.0 109.838 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.678 ' HA ' ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.98 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 111.614 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.71 -17.01 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.515 -173.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.66 18.69 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.463 . . . . 0.0 111.431 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.95 121.99 3.96 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.534 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.2 110.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.496 0.665 . . . . 0.0 111.4 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.7 ' HB ' ' OE1' ' A' ' 117' ' ' GLN . 43.2 m -107.89 149.19 28.6 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.6 tpt -62.17 -30.69 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.578 0.228 . . . . 0.0 111.406 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -53.04 61.09 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.856 0.36 . . . . 0.0 110.115 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.7 ' OE1' ' HB ' ' A' ' 114' ' ' THR . 14.3 mp0 -53.82 -66.91 0.31 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.04 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -54.73 2.4 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.606 0.762 . . . . 0.0 112.904 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -57.58 -57.62 11.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.76 -31.99 72.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.346 0.593 . . . . 0.0 110.993 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 t -75.56 -42.28 41.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.404 -175.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.518 ' HE3' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -62.89 -37.76 88.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.227 0.537 . . . . 0.0 110.234 175.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -74.12 -32.89 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.448 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.227 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.17 -10.75 56.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.265 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.24 43.02 26.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.852 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.95 163.74 21.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -90.63 130.22 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.81 72.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.69 ' HB3' ' HD2' ' A' ' 8' ' ' LYS . 2.4 pptp? . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 109.806 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -97.39 125.02 41.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.371 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -103.37 133.62 48.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -125.44 111.67 15.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.978 0.418 . . . . 0.0 110.604 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.533 ' HB2' HG23 ' A' ' 22' ' ' THR . 22.9 ttmm -100.19 117.85 35.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.506 178.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.5 p90 -116.73 152.24 34.72 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.9 t -146.94 118.67 8.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.05 146.06 50.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.02 120.27 39.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.574 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 16' ' ' GLY . 3.8 pp -145.53 142.44 29.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.92 -12.58 0.47 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 111.542 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 115.53 -3.12 21.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -174.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 m -107.56 138.79 43.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.446 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.8 mt-10 -94.27 106.65 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 11' ' ' SER . 53.8 mt -90.86 104.45 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.493 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -109.66 95.02 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 68.6 mt -93.85 117.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.912 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 9' ' ' LYS . 5.2 m -106.31 90.24 3.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.467 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -99.51 132.21 45.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.647 . . . . 0.0 111.352 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -98.91 118.31 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.236 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.5 p90 -109.61 134.91 51.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HB3' HD12 ' A' ' 31' ' ' LEU . 77.2 tttt -114.53 104.56 12.14 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.74 -116.11 4.18 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.161 -171.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.41 -8.92 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.02 0.438 . . . . 0.0 111.09 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 34.9 ttmt -111.46 135.34 52.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.716 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 4.4 t -78.9 118.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 mt -110.83 -3.6 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 33.6 mttp -155.05 131.98 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.753 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 59.1 tt0 -124.26 103.81 8.45 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.792 0.33 . . . . 0.0 110.837 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -85.6 91.25 8.21 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -97.26 108.64 21.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.736 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 38.8 tt0 -122.38 116.0 23.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.58 -176.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 47.5 p -97.73 119.43 36.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.329 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 84.5 tttt -83.71 97.4 9.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -100.77 103.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.004 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -65.15 147.14 54.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -60.91 -23.18 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.91 60.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.83 0.347 . . . . 0.0 111.276 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.3 t -87.14 -14.85 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.925 0.393 . . . . 0.0 110.604 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' ' 55' ' ' THR . 5.4 tt -111.23 -26.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.62 33.72 11.08 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.58 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.46 120.23 39.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -75.71 -31.61 59.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.214 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -129.67 156.11 44.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.427 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -64.33 -24.67 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.183 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -46.23 89.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.764 172.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 58.3 m-20 -61.34 -38.02 85.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.86 -51.61 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.781 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.7 -43.03 99.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.136 0.493 . . . . 0.0 110.818 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 21.1 ttpt -57.79 -22.22 46.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.984 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 44' ' ' ILE . 13.0 m -98.87 -42.88 6.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.008 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 77.5 mt -90.51 -23.93 20.79 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -168.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 39.0 mt-10 -60.7 -48.45 93.13 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.377 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 40.8 Cg_endo -69.77 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.922 1.748 . . . . 0.0 112.404 173.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 21.3 tp -84.23 -44.76 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 77.2 p -76.66 -15.45 59.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.435 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.13 2.26 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.273 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HB3' HG23 ' A' ' 99' ' ' ILE . 93.5 mttt -77.23 -27.31 53.33 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.349 -0.22 . . . . 0.0 110.59 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.5 m-85 -84.66 -54.34 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.918 -176.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 56.81 -86.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.07 26.01 5.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -168.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 99' ' ' ILE . 46.0 mt -66.55 94.27 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.091 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.15 -86.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.118 0.567 . . . . 0.0 112.33 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.8 44.01 1.0 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 86' ' ' ILE . 12.8 m -82.1 110.86 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 11.8 mm-40 -93.8 108.03 19.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.53 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 7.0 pt-20 -94.84 96.48 9.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.377 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -116.84 115.55 25.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.124 0.487 . . . . 0.0 111.484 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 82' ' ' GLU . 63.0 mt -99.99 106.85 18.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.047 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 17.0 p -101.7 109.76 21.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.485 0.66 . . . . 0.0 110.982 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 42.2 m-85 -94.36 108.49 20.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.573 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -81.29 -76.84 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 0.0 111.45 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -145.59 -61.96 0.34 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.096 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -119.9 4.35 10.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 111.053 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -147.78 146.6 29.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.09 54.47 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.203 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 27.0 mt-30 -101.15 110.26 22.26 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.736 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.4 tt0 -83.8 86.29 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.443 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -90.2 96.88 10.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 82' ' ' GLU . 48.6 t -102.85 118.8 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.997 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 19.3 m -102.14 99.53 9.67 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.663 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.1 mt -93.53 113.2 27.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.54 108.27 6.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 76.9 mtp -91.72 3.19 55.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.93 -35.19 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -133.55 37.36 3.31 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.911 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.583 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -56.02 130.01 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.946 176.031 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.96 100.59 13.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 75.3 m-85 -73.88 1.26 11.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -89.88 -54.12 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.821 0.343 . . . . 0.0 110.165 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.88 -31.33 66.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.945 0.402 . . . . 0.0 110.596 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.53 -30.99 61.71 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.513 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 81.7 mm-40 -61.9 -37.95 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.212 -177.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.47 -5.45 60.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.767 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 62' ' ' LYS . 92.0 mt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.505 ' OD1' ' HG2' ' A' ' 117' ' ' GLN . 21.6 t0 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.44 -18.87 65.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.35 -11.2 24.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.47 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.79 -56.44 2.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.365 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 150.05 105.41 0.33 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.642 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.67 104.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.193 0.52 . . . . 0.0 111.188 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.4 p -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.939 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -70.05 -37.01 75.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.919 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.09 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.505 ' HG2' ' OD1' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -66.34 -61.87 1.77 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.097 174.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 13.4 mmt -46.3 -39.9 10.83 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.36 -60.58 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.955 0.407 . . . . 0.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.05 -32.45 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 111.577 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.6 t -71.51 -45.56 67.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.621 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -67.47 -36.38 81.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.824 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -67.84 -30.79 70.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.08 -31.81 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.007 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.21 -12.98 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.159 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.33 27.91 34.96 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.061 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.621 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.0 m-85 -83.78 143.88 29.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 0.0 110.381 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -107.82 128.87 54.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.31 0.576 . . . . 0.0 110.785 -177.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -91.14 127.5 36.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.424 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -84.24 -33.2 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.788 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 28.0 ttmt . . . . . 0 N--CA 1.468 0.45 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.636 171.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HG2' ' HE2' ' A' ' 26' ' ' LYS . 43.7 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.551 ' OE2' ' HE3' ' A' ' 8' ' ' LYS . 34.4 tt0 -97.56 139.1 33.97 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.141 -173.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 m -101.6 114.16 27.95 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.936 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HE3' ' OE2' ' A' ' 6' ' ' GLU . 19.5 mmtp -112.78 94.44 4.91 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.394 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 22.6 ttmm -88.83 144.3 26.32 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 8.6 p90 -131.66 143.06 50.02 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 168.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.8 p -120.77 106.2 11.46 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.799 -175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.03 110.98 22.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.977 0.418 . . . . 0.0 110.593 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -94.05 89.45 6.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -110.38 105.23 14.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.491 0.663 . . . . 0.0 111.349 -177.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.5 57.05 6.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.38 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 79.8 -15.28 15.42 Favored Glycine 0 CA--C 1.517 0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.856 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 14' ' ' LEU . 20.7 m -93.55 105.59 17.63 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.358 -0.495 . . . . 0.0 110.363 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 8.6 mt-10 -89.76 96.04 10.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.543 HG12 HG23 ' A' ' 37' ' ' THR . 40.1 mt -91.25 103.63 14.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.33 0.586 . . . . 0.0 109.793 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -108.68 99.58 8.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.048 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.685 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 66.5 mt -98.52 120.22 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.093 0.473 . . . . 0.0 110.47 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 7.0 m -98.73 103.73 15.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.318 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.657 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 41.4 t -96.15 101.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 169.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.9 p90 -114.46 155.6 26.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.843 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 39.6 ttmt -133.87 108.3 8.36 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.768 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.56 -118.52 4.68 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -171.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.31 -8.18 13.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.103 0.452 . . . . 0.0 111.82 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' A' ' 31' ' ' LEU . 22.9 ttmt -99.51 133.7 43.46 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.264 177.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 24.3 t -79.75 101.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.7 mt -80.49 -26.01 38.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.609 -171.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 68.7 mttm -136.47 117.06 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.632 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -108.12 102.06 11.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.627 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 53.2 m -85.29 102.67 13.56 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 22.8 t -97.56 92.77 6.07 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.77 96.33 7.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.783 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.543 HG23 HG12 ' A' ' 19' ' ' ILE . 87.8 m -94.54 107.7 19.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.146 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 81' ' ' GLN . 34.9 ttmt -92.32 103.01 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.944 0.402 . . . . 0.0 110.528 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -100.4 124.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 25.7 mm-40 -73.07 153.15 40.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 175.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -59.59 -30.66 68.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 110.95 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 -25.01 63.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -83.09 -38.78 22.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.946 0.403 . . . . 0.0 110.78 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.1 tt -85.96 -27.97 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.02 46.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.163 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.571 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -90.87 128.52 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.605 0.24 . . . . 0.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 m -69.12 -44.47 72.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -132.97 -179.34 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.78 -34.11 73.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.5 -49.86 75.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.549 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.85 -36.79 85.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.691 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.08 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.92 -38.67 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -58.48 -25.5 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.7 m -94.02 -41.38 9.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.715 0.293 . . . . 0.0 111.284 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -82.19 -37.31 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -171.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 29.3 mt-10 -56.84 -53.18 67.63 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.765 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.3 Cg_endo -67.62 -16.41 46.76 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.742 1.628 . . . . 0.0 112.463 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.39 -41.74 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.5 m -63.46 -28.25 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.32 0.581 . . . . 0.0 110.016 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.47 -10.45 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.542 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -72.85 -23.83 60.8 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.036 0.446 . . . . 0.0 109.81 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.715 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.4 m-85 -79.65 -57.35 3.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 56.4 tttm 59.07 -93.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.127 174.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' OD1' ' HG2' ' A' ' 64' ' ' LYS . 21.9 m120 -139.7 39.09 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.344 0.127 . . . . 0.0 111.344 -175.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.715 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.4 mt -57.79 -40.04 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.571 0.7 . . . . 0.0 110.363 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 91' ' ' VAL . . . -168.49 -147.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.426 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.09 43.41 2.23 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.058 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.1 m -82.48 99.05 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.926 0.869 . . . . 0.0 110.564 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 9.6 tp10 -100.1 108.01 20.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.106 -175.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.85 108.04 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.244 0.545 . . . . 0.0 110.891 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 65.5 tttm -108.65 103.52 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.074 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.12 115.42 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.1 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -107.7 108.99 20.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 67.8 m-85 -97.57 102.23 13.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 m -88.45 -40.82 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.746 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -174.75 -79.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.962 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 78' ' ' THR . 16.3 m -115.81 19.67 15.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.414 1.102 . . . . 0.0 109.434 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.13 156.56 37.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.629 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.54 124.65 36.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.135 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.642 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 27.0 tt0 -102.44 120.14 40.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.196 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -83.63 94.6 8.13 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -78.56 91.5 4.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.25 130.61 44.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.964 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 4.1 m -112.59 102.97 11.02 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -99.8 109.44 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.767 0.318 . . . . 0.0 110.75 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.9 t70 -86.11 111.67 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.7 mmt -83.17 3.92 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.221 -171.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.66 -11.22 40.47 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.922 0.391 . . . . 0.0 110.477 176.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -130.63 -0.33 4.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.573 -176.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -57.63 129.17 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -174.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.82 107.39 19.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.296 -0.865 . . . . 0.0 108.976 168.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 96.4 m-85 -72.08 -11.91 60.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.389 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.1 -42.54 69.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.041 0.448 . . . . 0.0 110.045 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 -32.22 43.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.192 0.52 . . . . 0.0 110.433 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -68.72 -17.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.76 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -57.22 -31.31 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.55 -47.48 5.12 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.919 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 66' ' ' ILE . 10.1 pt . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.196 0.522 . . . . 0.0 110.776 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 111' ' ' LYS . 14.0 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.63 72.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.065 0.46 . . . . 0.0 110.463 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.6 4.36 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 111' ' ' LYS . 34.6 ttmt -101.94 -39.37 7.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.834 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.04 108.35 2.41 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -75.04 112.44 12.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.471 0.653 . . . . 0.0 111.875 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 p -107.29 172.28 6.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.098 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -76.0 -31.1 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.563 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.63 85.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.763 174.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.425 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 1.5 tp60 -56.74 -64.56 0.83 Allowed 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.645 171.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.69 ' O ' ' HG2' ' A' ' 122' ' ' MET . 17.6 mmt -51.17 -46.77 62.19 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -55.05 -58.98 5.45 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.186 0.517 . . . . 0.0 111.343 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 0.0 111.524 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 4.0 t -76.68 -33.17 21.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.571 -174.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG2' ' O ' ' A' ' 118' ' ' MET . 30.9 mmt -66.73 -40.41 88.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.54 -30.43 71.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.903 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.91 50.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.481 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.73 -12.12 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.167 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 43.88 14.44 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.01 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.403 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 25.5 m-85 -80.89 151.35 28.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.765 0.317 . . . . 0.0 110.541 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -94.55 111.46 23.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 134.4 45.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.606 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.553 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 90.4 t -133.37 78.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.158 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt . . . . . 0 C--O 1.235 0.314 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.178 174.798 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 2.2 mp0 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.318 0.58 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -100.79 129.84 46.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.196 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -104.77 131.36 52.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.807 0.337 . . . . 0.0 111.689 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 60.2 tttt -139.13 127.54 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HD3' ' OG1' ' A' ' 22' ' ' THR . 36.2 ttpt -117.41 142.91 46.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.638 0.256 . . . . 0.0 110.82 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 16.0 p90 -130.12 148.62 51.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t -137.86 115.46 11.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.226 0.536 . . . . 0.0 110.428 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.75 112.95 18.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.531 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -86.98 109.31 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 pp -125.68 122.52 36.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 71.13 -39.86 0.46 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.6 0.76 . . . . 0.0 112.108 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.682 ' HA3' ' HB3' ' A' ' 43' ' ' SER . . . 158.43 -13.89 0.24 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 -176.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 HG22 HG13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -87.29 108.15 18.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.206 173.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 6.6 mt-10 -87.83 95.81 10.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.486 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.554 HG12 HG23 ' A' ' 37' ' ' THR . 63.6 mt -96.49 107.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -175.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.54 104.27 11.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.362 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 76.4 mt -100.43 113.05 34.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.559 -177.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 23.8 m -92.08 93.72 8.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' ' HD3' ' A' ' 8' ' ' LYS . 46.4 p90 -102.98 136.0 43.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.629 0.728 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 94.3 t -105.29 118.11 52.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 33.2 p90 -112.04 167.87 10.05 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -143.92 93.36 2.44 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.27 -115.62 4.07 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.485 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -103.17 -6.22 22.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.024 0.412 . . . . 0.0 111.694 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HD3' HD21 ' A' ' 31' ' ' LEU . 76.0 tttt -109.84 134.13 52.39 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.813 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.9 t -80.48 123.9 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 168.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD21 ' HD3' ' A' ' 29' ' ' LYS . 78.4 mt -106.86 -14.02 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -150.58 139.64 21.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -128.68 105.33 8.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -94.16 96.48 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 21' ' ' ILE . 7.6 p -97.24 94.54 7.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.43 0.633 . . . . 0.0 110.47 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.76 111.63 23.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.113 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -109.02 113.36 26.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.218 0.532 . . . . 0.0 110.564 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 42.9 tttm -94.83 98.4 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.891 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.526 HG13 HG22 ' A' ' 17' ' ' THR . 4.0 mp -94.47 114.82 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.516 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.8 147.61 53.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HA ' HG22 ' A' ' 44' ' ' ILE . 8.7 m-30 -64.07 -20.77 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.985 179.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.48 -28.16 60.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.682 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 11.2 p -91.33 -31.24 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 0.0 111.502 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 ' HB ' HG21 ' A' ' 39' ' ' ILE . 9.3 tt -81.51 -30.64 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 26.68 22.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.667 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -91.19 136.01 33.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.389 . . . . 0.0 110.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -102.96 -11.41 18.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -155.93 159.33 39.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.621 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 75' ' ' TYR . 36.7 ttpt -54.53 -56.57 17.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.623 0.249 . . . . 0.0 111.378 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -31.63 72.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.22 0.533 . . . . 0.0 110.378 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.12 -41.75 97.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.491 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.27 90.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.312 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.87 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.885 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.18 -20.58 55.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.639 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -98.85 -34.05 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.51 HD12 ' HE1' ' A' ' 75' ' ' TYR . 95.6 mt -87.14 -33.58 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -175.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.81 -52.65 65.73 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 -8.57 23.19 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.749 1.632 . . . . 0.0 112.54 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tt -90.7 -54.85 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.654 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 m -65.07 -25.16 67.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.832 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.78 -10.09 49.73 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.591 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.84 -23.59 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.38 22.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.668 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.75 90.0 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.421 0.688 . . . . 0.0 111.791 -177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 48.23 47.05 19.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.2 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.8 -48.15 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 122.044 0.926 . . . . 0.0 109.081 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . . . -151.89 -152.77 0.44 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.12 -1.4 . . . . 0.0 107.731 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.45 53.16 3.15 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.429 -1.069 . . . . 0.0 110.429 171.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 86' ' ' ILE . 17.0 m -89.38 108.05 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.432 0.634 . . . . 0.0 111.092 -173.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 8.3 mm-40 -93.83 116.02 28.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.28 177.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 115.34 30.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 0.0 110.686 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.5 mptp? -115.3 99.83 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.01 0.433 . . . . 0.0 111.053 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.87 98.81 9.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.681 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.7 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 78.0 p -102.86 119.79 39.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.077 0.465 . . . . 0.0 110.587 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HE1' HD12 ' A' ' 56' ' ' LEU . 44.6 m-85 -107.25 103.09 12.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.84 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -79.17 -69.77 0.55 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -161.49 -53.35 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.968 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -121.01 9.64 10.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -154.25 154.44 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.964 0.412 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.57 118.02 31.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.506 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.7 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 53.6 tt0 -98.08 100.42 11.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -86.45 92.6 8.9 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.428 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -85.9 102.88 14.12 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.15 142.02 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.056 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 19.3 m -131.56 100.16 5.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.4 136.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.064 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -90.57 136.17 33.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.116 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.2 mmm -96.12 23.92 6.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.386 0.612 . . . . 0.0 109.987 -174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.22 -45.58 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.953 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 75.4 tttt -97.85 3.93 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.18 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -48.55 110.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.113 0.482 . . . . 0.0 112.203 -179.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -87.56 98.77 11.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.453 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 56.0 m-85 -71.7 -15.43 62.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.351 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' C ' ' HD3' ' A' ' 94' ' ' LYS . 7.8 tmtm? -73.63 -44.59 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.22 81.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.011 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 2.0 mt -64.39 -23.19 67.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.409 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.11 -40.54 58.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.67 0.388 . . . . 0.0 111.61 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.26 3.88 69.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.962 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.342 0.592 . . . . 0.0 110.676 -176.385 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.25 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -60.7 -32.56 71.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.691 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' LYS . 48.4 tptt -92.88 8.53 39.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.7 157.48 22.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.447 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.2 mm -110.04 129.83 64.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 111.208 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -127.59 172.04 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.52 -33.12 66.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.039 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.55 87.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.323 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.37 -62.33 1.67 Allowed 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.687 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.561 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -47.36 -36.23 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.203 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -61.71 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.784 0.326 . . . . 0.0 111.397 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -51.78 66.23 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.513 0.673 . . . . 0.0 111.322 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 t -55.7 -43.92 75.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.906 -177.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.644 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -69.36 -36.96 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.045 -0.409 . . . . 0.0 111.057 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.14 -23.13 61.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.201 0.524 . . . . 0.0 110.193 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -45.16 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.374 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.57 -25.27 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.153 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.05 25.16 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.295 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 10.5 m-85 -75.08 150.09 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.016 0.436 . . . . 0.0 110.114 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -98.35 95.25 7.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.803 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.02 124.12 22.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.494 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.3 t -107.01 90.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.485 0.659 . . . . 0.0 110.474 178.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.13 0.49 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.1 mm-40 -107.7 154.2 21.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.595 -176.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -118.91 118.42 31.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.71 0.29 . . . . 0.0 111.438 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 41.2 ttmt -113.16 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 58.8 tttp -97.91 141.1 31.3 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.2 p90 -130.65 153.2 49.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 51.9 p -135.3 133.01 38.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.147 0.499 . . . . 0.0 111.003 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.88 105.93 5.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.983 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 41.8 t-20 -83.04 102.55 11.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -116.73 112.68 21.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.64 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 64.99 21.01 12.25 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.346 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.37 -10.12 57.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.925 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.559 HG23 HG12 ' A' ' 39' ' ' ILE . 44.8 m -92.75 102.08 14.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.8 mt-10 -84.61 102.86 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.53 HG12 HG22 ' A' ' 37' ' ' THR . 27.3 mt -90.68 105.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -112.71 92.73 4.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.444 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.69 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 50.7 mt -93.71 116.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.224 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 3.1 m -102.14 96.6 7.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.315 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 36.3 p90 -99.69 130.59 45.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.708 0.766 . . . . 0.0 111.447 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 t -96.3 122.77 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.812 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -121.88 148.98 44.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.377 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 31' ' ' LEU . 34.4 mtpt -126.42 101.91 6.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.31 -115.82 4.11 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -170.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.68 8.12 12.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 110.547 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' HG ' ' A' ' 31' ' ' LEU . 12.8 ttmt -100.31 139.19 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG12 ' SD ' ' A' ' 88' ' ' MET . 11.7 t -98.3 123.57 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 26' ' ' LYS . 5.8 mp -109.7 -19.42 13.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -170.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.523 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 97.5 mttt -139.14 118.1 12.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.62 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 52.6 tt0 -107.2 92.41 4.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -86.65 99.79 11.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.164 0.507 . . . . 0.0 109.706 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 21' ' ' ILE . 20.6 p -97.32 96.86 8.67 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 28.7 tt0 -107.64 104.68 14.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.0 -175.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.53 HG22 HG12 ' A' ' 19' ' ' ILE . 1.4 p -96.56 112.79 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.657 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 54.3 tttm -87.57 86.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.565 0.698 . . . . 0.0 109.403 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.559 HG12 HG23 ' A' ' 17' ' ' THR . 47.6 mt -86.86 113.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.297 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.479 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 29.3 mm-40 -72.79 144.69 47.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 4.5 m-30 -61.72 -21.43 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.37 71.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.205 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -75.74 -43.75 45.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.2 tt -75.34 -30.07 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.31 34.58 7.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.785 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.602 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -122.6 162.11 22.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -128.29 -32.47 2.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.352 0.596 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.463 ' HB ' ' OE2' ' A' ' 50' ' ' GLU . 1.8 p -93.32 147.88 22.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.939 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -61.84 -42.66 99.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.985 -173.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 1.3 pm0 -79.91 -19.73 47.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.542 -175.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -77.91 -22.46 49.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.512 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 -38.09 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.573 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -58.76 -38.98 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.273 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 63.7 mttp -51.53 -34.77 37.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.626 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.5 ' HB ' HD11 ' A' ' 44' ' ' ILE . 10.6 m -96.77 -33.55 11.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.833 -175.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 71.9 mt -89.35 -26.28 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 43.9 mt-10 -60.12 -50.88 84.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 O-C-N 122.012 -0.43 . . . . 0.0 111.642 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 37.9 Cg_endo -68.53 -9.75 26.99 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.188 1.925 . . . . 0.0 112.269 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 24.5 tp -76.0 -52.89 9.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -66.31 -33.08 74.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.159 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.9 -2.59 2.71 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.582 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -80.86 -15.69 55.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.7 m-85 -85.7 -57.71 2.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? 55.01 48.84 18.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.55 171.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 50.77 59.65 4.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.332 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.9 mt -58.57 -41.13 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 111.08 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -148.17 -91.57 0.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.279 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.2 7.29 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 86' ' ' ILE . 9.3 m -86.9 110.33 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.68 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -106.83 112.44 25.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.75 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.85 129.05 40.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.52 103.65 5.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 111.762 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 46.5 mt -81.12 107.09 13.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 29.4 p -105.5 109.17 21.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 71.8 m-85 -91.68 126.59 36.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.19 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.6 m -97.06 -60.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.491 . . . . 0.0 110.451 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -179.31 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.324 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 m -93.12 -0.38 57.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.68 0.752 . . . . 0.0 110.32 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 p90 -159.67 161.62 34.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.582 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.94 132.3 47.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.944 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 22.6 mt-30 -103.14 115.36 30.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 8.6 tp10 -92.06 108.42 19.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -98.38 100.53 11.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.715 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 82' ' ' GLU . 53.8 t -104.91 113.07 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.178 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 7.2 m -97.62 104.5 16.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' ' 69' ' ' VAL . 70.4 mt -94.35 108.91 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t70 -72.5 112.94 9.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.62 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 53.8 mtp -95.23 25.07 4.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -113.15 -36.19 5.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.42 0.629 . . . . 0.0 109.679 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 7.3 tmtt? -106.87 9.28 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.399 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -54.93 140.29 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -176.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.18 102.9 13.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.988 -1.005 . . . . 0.0 108.571 169.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 70.2 m-85 -71.35 -17.82 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -174.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 28.1 ttpt -57.65 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.48 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.589 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 14.5 tp -58.38 -34.84 71.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.63 -27.56 66.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.393 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.75 4.83 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.565 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.9 pt . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.597 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 t0 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.325 0.583 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -34.76 62.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.231 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.57 -34.09 73.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -93.75 7.61 44.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.837 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.41 134.06 8.25 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.953 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 117' ' ' GLN . 48.8 mm -103.88 126.71 58.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.757 0.313 . . . . 0.0 110.439 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -121.51 -171.99 2.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.471 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 15.3 tpt -65.88 -35.71 81.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.25 86.74 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.486 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' A' ' 113' ' ' ILE . 4.7 mp0 -56.0 -73.81 0.05 Allowed 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 25.9 mmt -38.73 -49.11 1.57 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 115' ' ' MET . 16.7 mm-40 -57.09 -54.09 50.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.002 0.43 . . . . 0.0 111.193 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.89 -30.44 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.183 0.516 . . . . 0.0 111.675 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.94 -39.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.025 -173.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.695 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -73.1 -33.8 65.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 177.149 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.91 -35.63 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -44.0 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.984 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.04 -27.21 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.6 43.09 3.0 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.071 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.695 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 23.5 m-85 -103.65 139.89 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -103.09 144.76 30.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 142.03 32.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.256 0.55 . . . . 0.0 110.699 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.6 t -111.58 88.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 33.3 ttmt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.428 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.313 0.578 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -97.54 124.12 41.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.441 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -96.26 118.39 32.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.231 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -113.16 119.25 37.16 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 44.4 tttp -115.15 146.28 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.798 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.3 p90 -146.51 155.82 42.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 48.2 t -148.01 122.53 9.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.123 0.487 . . . . 0.0 110.352 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.29 119.1 30.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.176 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -79.69 94.31 5.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -81.51 69.55 8.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 71.38 -55.35 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.044 0.938 . . . . 0.0 111.362 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.52 -39.93 0.19 Allowed Glycine 0 C--N 1.314 -0.677 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.213 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 HG13 ' A' ' 39' ' ' ILE . 3.8 p -81.08 110.96 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.017 0.437 . . . . 0.0 111.295 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.9 mt-10 -85.16 94.62 8.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 11' ' ' SER . 44.8 mt -93.24 102.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -111.74 102.98 11.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.452 0.644 . . . . 0.0 109.758 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.666 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 61.6 mt -98.16 127.66 50.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 m -114.74 93.77 4.47 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.363 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.872 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 4.6 p90 -101.55 114.36 28.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 111.384 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -85.98 120.35 35.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.921 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -112.49 155.86 23.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -123.1 96.2 4.91 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.53 -116.12 4.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.078 -174.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.44 -12.96 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.994 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -97.67 122.91 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.129 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.64 126.18 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -110.29 -61.99 1.58 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -112.51 116.57 30.46 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.63 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.872 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 28.3 tt0 -113.32 98.87 7.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 p -85.62 103.51 14.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.592 0.711 . . . . 0.0 110.144 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.52 ' HA ' HG12 ' A' ' 21' ' ' ILE . 8.2 m -97.99 96.99 8.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.581 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -99.12 109.16 21.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.45 HG23 HG12 ' A' ' 19' ' ' ILE . 26.5 m -99.7 114.02 26.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.306 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 38.7 tttm -102.17 114.61 28.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.497 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 17' ' ' THR . 3.5 mp -115.21 129.49 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.391 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -81.82 156.41 24.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -61.01 -30.55 70.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.585 0.231 . . . . 0.0 111.474 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.53 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 111.245 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -81.99 -38.97 24.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 46' ' ' ALA . 10.4 tt -81.0 -33.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.978 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.04 15.76 53.04 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.169 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -87.42 131.62 34.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 110.632 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 -14.36 38.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.247 0.546 . . . . 0.0 110.575 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.579 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 32.0 p -140.97 161.89 36.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.789 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -76.98 -19.71 56.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.579 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 24.4 mp0 -66.08 -48.59 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.166 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -72.63 -25.06 61.15 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.564 176.037 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.45 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.88 83.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.187 0.518 . . . . 0.0 110.083 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 51' ' ' ASP . 54.4 tttt -51.4 -30.37 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.796 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.6 m -92.16 -41.4 10.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.7 mt -84.68 -39.28 18.75 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 49.6 mt-10 -49.53 -53.03 44.91 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -175.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.8 Cg_endo -61.31 -16.08 44.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.197 1.932 . . . . 0.0 113.093 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.81 -46.6 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.364 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -64.63 -32.56 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.312 0.577 . . . . 0.0 110.097 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.82 -4.66 21.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 28.4 mtpp -72.54 -28.0 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.656 ' O ' HG13 ' A' ' 66' ' ' ILE . 91.2 m-85 -76.07 -37.76 57.85 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 171.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 43.1 tttm 57.57 -92.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.342 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.454 HD22 ' HA ' ' A' ' 65' ' ' ASN . 2.0 t-20 -172.03 37.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 63' ' ' TYR . 22.2 mt -50.03 -37.91 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.442 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -151.04 -146.01 0.19 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 30.0 1.29 Allowed Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.978 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.788 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.4 m -86.3 102.49 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 110.478 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -93.63 140.79 29.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.495 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 93.77 4.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.624 0.726 . . . . 0.0 110.054 172.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 4.5 ttmp? -100.35 96.95 7.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.371 0.605 . . . . 0.0 109.711 -176.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -86.65 110.59 19.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.467 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.558 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 17.4 p -101.63 109.14 20.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.466 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -94.06 105.67 17.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.208 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.2 m -110.4 146.9 35.03 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.99 -7.9 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 111.724 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -104.48 -30.27 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.862 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -161.92 151.61 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.27 117.6 31.59 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 4.8 tt0 -104.97 120.03 40.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 110.574 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -87.34 91.72 8.82 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 15.4 t-20 -81.1 104.01 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.377 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -108.4 133.44 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.922 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 49.2 m -109.3 107.97 18.38 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.41 HD12 HE21 ' A' ' 33' ' ' GLN . 59.2 mt -99.79 99.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 32.7 t0 -93.37 111.3 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.033 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.6 mmt -80.23 6.96 10.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.484 -168.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' OE2' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -101.86 1.31 36.87 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.296 -174.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HB2' ' OE2' ' A' ' 89' ' ' GLU . 82.6 tttt -143.96 3.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.712 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -67.7 148.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -115.91 104.43 11.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.648 168.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -66.32 -19.85 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.26 -35.85 78.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.71 -25.57 19.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.423 . . . . 0.0 110.83 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 96' ' ' LEU . 3.6 tt -66.39 -32.27 73.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -65.66 -24.5 67.03 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.603 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.0 -19.21 75.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.41 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.413 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 37.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.404 0.621 . . . . 0.0 110.057 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.068 0.461 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.13 77.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.545 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -77.72 -15.15 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.827 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -95.63 -30.79 13.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.424 . . . . 0.0 111.054 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.95 120.41 4.36 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.39 119.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 0.0 112.234 -171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.8 p -122.3 172.3 8.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.4 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 22.4 tpp -68.62 -40.85 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.338 -0.145 . . . . 0.0 110.796 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.9 -45.46 67.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.136 0.494 . . . . 0.0 110.292 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.64 -63.3 1.21 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.811 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.4 mmt -49.5 -28.45 5.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.45 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.792 0.33 . . . . 0.0 111.319 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.4 -30.18 68.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.15 -43.69 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.87 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.91 -32.57 67.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.651 178.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.81 -22.51 59.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.308 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.93 64.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.432 175.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.01 -26.79 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.92 32.18 11.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.089 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.593 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.0 m-85 -76.3 152.24 36.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.024 0.44 . . . . 0.0 111.19 -178.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -92.23 112.54 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.272 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -70.22 136.9 50.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.0 110.861 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.651 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 39.5 t -126.98 83.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.806 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 9.6 tp10 -139.15 142.77 37.99 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.952 -0.467 . . . . 0.0 110.499 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.1 p -116.92 119.24 34.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.321 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -112.98 112.31 23.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.36 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -101.92 137.96 39.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.214 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.52 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p90 -144.54 162.07 37.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 171.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' HG21 ' A' ' 130' ' ' VAL . 52.2 p -154.42 121.67 5.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.43 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.42 114.48 22.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -90.88 104.96 17.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.671 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.42 24.93 2.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.026 0.441 . . . . 0.0 110.397 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 59.26 91.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.111 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 -35.38 4.13 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 16.2 p -128.04 131.5 49.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.758 0.313 . . . . 0.0 110.992 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 18.6 mt-10 -103.03 107.64 18.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.2 mt -99.1 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.109 0.481 . . . . 0.0 110.044 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.15 114.9 25.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.318 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.52 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 36.7 mt -113.11 129.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -112.8 107.43 16.05 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.44 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' SER . 60.9 m-85 -87.45 111.26 20.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.899 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 96.3 t -96.26 103.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 52.5 p90 -122.93 153.21 40.0 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.481 -173.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 17.9 ttmm -114.48 91.1 3.51 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.76 -116.12 5.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.649 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -84.79 -23.71 29.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.472 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 107.8 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.543 -171.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 48.5 t -76.49 119.07 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -102.35 -35.76 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.919 -173.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 66.7 mttm -129.21 117.58 20.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.011 0.434 . . . . 0.0 110.944 177.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -107.55 101.32 10.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 29.0 m -88.11 91.36 8.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.769 176.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -108.16 101.9 11.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CD ' HE21 ' A' ' 81' ' ' GLN . 11.1 tt0 -101.52 136.52 41.23 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.521 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 m -119.64 100.69 7.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 0.0 109.851 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.5 ttmp? -82.27 108.34 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.483 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 50.0 mt -99.82 126.27 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.314 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -78.56 155.11 29.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -74.83 60.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 110.857 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.9 -44.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 m -78.97 -7.42 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.766 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.676 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.0 tt -106.93 -26.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.588 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.34 8.56 87.49 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.783 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.676 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -72.02 121.92 19.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 m -71.03 -48.09 54.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 168.59 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -64.46 -25.63 68.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.051 0.453 . . . . 0.0 109.844 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.45 -48.37 79.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.752 173.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 31.7 m-20 -62.91 -34.57 77.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.39 36.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.613 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.28 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.685 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 16.4 ttpt -56.72 -28.13 60.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.29 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 m -99.22 -38.34 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.821 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -87.61 -30.83 20.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 36.2 mt-10 -58.75 -50.0 90.39 Favored Pre-proline 0 CA--C 1.536 0.44 0 O-C-N 121.981 -0.45 . . . . 0.0 112.208 -177.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 28.2 Cg_endo -65.71 -13.34 39.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.885 1.723 . . . . 0.0 112.506 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 tt -91.94 -41.5 10.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.306 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -67.72 -22.71 65.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.08 -6.01 5.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.147 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG2' HG23 ' A' ' 99' ' ' ILE . 36.5 ttpt -60.04 -38.05 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.027 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.1 m-85 -84.57 -29.93 25.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.633 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 28.5 ttmt 59.48 -96.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 6.0 p30 -172.2 37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 63' ' ' TYR . 17.4 mt -47.35 -45.82 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.243 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -145.97 -145.47 0.17 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.453 -176.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 87' ' ' ASP . . . -78.12 36.91 1.73 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.614 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -93.95 100.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.262 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.58 121.13 40.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.295 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 96.62 7.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.398 0.618 . . . . 0.0 110.084 176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 58.0 mttp -99.92 101.54 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.952 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.35 107.28 16.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.654 173.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.0 p -110.48 115.48 29.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.22 0.534 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -104.66 117.45 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.483 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.9 m -110.52 -40.47 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -164.8 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.87 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 78' ' ' THR . 16.9 m -111.79 13.97 21.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.068 0.937 . . . . 0.0 109.634 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -143.67 147.99 35.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.745 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.07 124.99 45.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.143 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.598 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 47.7 mt-30 -98.19 114.68 26.99 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.348 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -85.29 84.07 7.78 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.427 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -82.53 102.38 11.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.11 -177.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.9 116.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.538 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 29.9 m -108.19 120.04 41.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.6 mt -113.22 108.38 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' CB ' ' HA3' ' A' ' 68' ' ' GLY . 4.6 t0 -84.53 109.0 17.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.54 16.06 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 1.43 21.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.26 0.552 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -135.8 -2.81 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.465 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.36 152.94 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 112.885 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -117.76 98.35 6.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.363 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -64.14 -20.75 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.381 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -66.05 -52.53 48.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.362 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.78 71.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.19 -22.22 66.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.692 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.36 -13.02 61.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.319 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.88 20.51 8.62 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.487 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.751 HG23 ' HG2' ' A' ' 62' ' ' LYS . 64.4 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.67 0.271 . . . . 0.0 111.636 -176.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.09 -17.16 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.15 0.5 . . . . 0.0 110.376 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.31 -40.3 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.118 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -70.63 -39.3 73.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.24 135.51 3.69 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.9 mm -86.39 112.81 23.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.9 p -121.91 -173.9 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.214 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.494 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -66.16 -47.5 73.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 178.074 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.17 84.17 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.806 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.524 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -50.92 -64.8 0.7 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 174.549 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 122' ' ' MET . 19.0 mmt -54.79 -39.73 68.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.98 -58.78 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.46 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.88 0.848 . . . . 0.0 111.061 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.0 t -73.83 -43.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.921 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' MET . 16.5 mmt -75.27 -28.24 59.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 111.047 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.28 -31.62 69.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.34 81.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -25.15 53.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.54 45.33 6.16 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.236 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -96.73 176.04 6.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -124.79 136.78 54.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 111.089 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.36 146.98 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.166 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.531 HG21 ' OG ' ' A' ' 11' ' ' SER . 6.8 t -122.82 -35.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.621 -177.662 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 42.8 mt-10 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 5.0 mm-40 -97.15 116.05 28.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.336 0.589 . . . . 0.0 110.618 -164.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -101.6 112.77 25.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.783 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -113.15 117.76 32.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE2' ' OG1' ' A' ' 22' ' ' THR . 37.5 ttmt -105.07 146.53 28.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.33 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.7 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 17.1 p90 -129.7 145.75 51.51 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 167.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 24.6 t -146.54 131.63 18.31 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.506 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.87 24.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.892 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.14 108.54 18.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.839 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 mt -82.52 -161.08 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -55.94 -35.39 66.59 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.27 23.46 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 7.6 p -136.66 130.63 32.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.866 0.365 . . . . 0.0 111.295 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 21.3 mt-10 -95.08 103.91 15.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 11' ' ' SER . 37.4 mt -97.45 104.88 16.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.285 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.16 104.31 9.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.316 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 45.8 mt -106.79 115.67 48.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.693 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.418 ' OG1' ' HE2' ' A' ' 9' ' ' LYS . 10.4 m -100.24 94.22 6.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.727 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . 13.3 p90 -88.69 127.4 35.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.512 0.672 . . . . 0.0 110.427 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 57.7 t -102.04 115.22 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.106 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 22.9 p90 -116.14 155.07 28.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.931 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -127.65 97.77 4.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.53 -115.63 4.08 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -105.4 -25.8 12.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 0.0 109.471 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HD2' HD21 ' A' ' 31' ' ' LEU . 4.5 ttmp? -76.43 123.49 26.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.781 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 17.3 t -84.35 128.05 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 HD21 ' HD2' ' A' ' 29' ' ' LYS . 96.5 mt -113.07 -27.98 7.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 98.6 mttt -138.05 150.95 47.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 23' ' ' TYR . 36.6 tt0 -140.5 108.45 5.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -90.4 92.27 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HG12 ' A' ' 21' ' ' ILE . 18.5 m -97.8 94.13 6.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -94.61 127.56 40.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.08 0.467 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG12 ' A' ' 19' ' ' ILE . 40.1 m -118.79 112.77 20.14 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.331 174.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HG2' ' OE1' ' A' ' 40' ' ' GLN . 4.3 ttmp? -91.94 102.14 14.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.04 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 4.5 mp -90.65 113.07 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.003 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HG2' ' A' ' 38' ' ' LYS . 7.6 mm100 -73.62 153.51 40.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.53 64.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 110.807 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.07 -67.35 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.784 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 m -70.0 -25.53 63.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.4 tt -74.32 -24.62 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.68 77.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.317 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.783 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -102.05 152.43 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.46 0.172 . . . . 0.0 110.607 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -134.62 4.31 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.922 0.391 . . . . 0.0 111.614 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -151.0 156.05 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.19 -41.67 96.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.807 0.276 . . . . 0.0 111.387 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.24 -47.68 84.93 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.385 0.612 . . . . 0.0 109.553 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 46' ' ' ALA . 17.5 t70 -62.61 -37.94 88.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.56 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.817 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 75' ' ' TYR . . . -60.38 -43.46 96.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.197 0.522 . . . . 0.0 110.201 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -61.0 -15.68 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.257 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -98.83 -35.56 10.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HE1' ' A' ' 75' ' ' TYR . 71.6 mt -93.04 -25.41 17.95 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 4.8 mm-40 -53.75 -48.95 91.73 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.9 Cg_endo -60.3 -19.39 57.62 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.798 1.665 . . . . 0.0 112.562 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.27 -44.2 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 p -66.73 -27.59 67.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.254 0.55 . . . . 0.0 110.503 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 -11.45 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.462 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.86 -30.66 61.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.719 0.295 . . . . 0.0 110.348 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' HD11 ' A' ' 66' ' ' ILE . 87.5 m-85 -81.64 13.06 3.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.108 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -51.78 96.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.847 0.717 . . . . 0.0 112.317 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 52.83 46.49 26.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.361 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 95' ' ' ALA . 59.7 mt -66.3 -38.77 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.989 0.9 . . . . 0.0 109.391 173.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.86 -149.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.023 -1.444 . . . . 0.0 108.372 -172.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.97 45.01 1.89 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.506 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.5 m -89.64 123.5 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 121.241 0.543 . . . . 0.0 110.325 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 32.7 mt-10 -119.95 93.02 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.47 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.6 pm0 -81.74 101.04 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.653 0.74 . . . . 0.0 109.63 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -100.1 103.44 14.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.059 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.449 HD13 ' OH ' ' A' ' 75' ' ' TYR . 51.4 mt -93.58 114.18 26.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.345 -175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.661 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 79.4 p -118.31 114.66 23.31 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.632 ' HE1' HD12 ' A' ' 56' ' ' LEU . 90.6 m-85 -100.75 136.12 41.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.922 -175.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.0 p -115.96 -155.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.93 -24.03 17.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.8 m -110.15 -33.6 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.818 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -142.1 155.86 45.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.369 0.604 . . . . 0.0 111.86 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.49 119.94 40.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.318 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.661 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.9 OUTLIER -98.12 105.67 17.85 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.49 93.99 5.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.828 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.566 ' HB2' ' OE1' ' A' ' 81' ' ' GLN . 3.3 t-20 -88.38 106.31 18.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -96.78 104.96 16.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.403 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 20.3 m -92.89 103.13 15.49 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.15 112.49 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.357 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.6 t70 -79.35 114.81 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.8 mtt -88.91 12.44 15.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -95.28 -41.89 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.179 0.514 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -95.4 0.17 53.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.304 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.82 139.51 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.368 0.604 . . . . 0.0 112.53 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -116.56 96.97 5.75 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.641 174.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -60.14 -37.62 80.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.318 -171.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.29 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.263 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -82.92 -39.06 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 0.0 110.378 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -23.81 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.54 -28.25 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 0.08 77.37 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.859 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 66' ' ' ILE . 4.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.355 0.598 . . . . 0.0 110.019 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 117' ' ' GLN . 24.3 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.138 0.494 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.34 -27.63 65.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.53 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.97 -17.92 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.902 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 111' ' ' LYS . 29.6 ttpt -91.38 -35.26 14.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.56 105.52 1.32 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.197 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.45 110.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.346 0.594 . . . . 0.0 110.957 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -128.02 179.72 5.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.294 178.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -57.7 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.747 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.48 72.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.669 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.5 mp0 -58.95 -64.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.48 176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 10.2 mmt -49.87 -37.96 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.459 0.474 . . . . 0.0 111.414 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.2 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.891 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 120' ' ' LEU . 5.4 tt -65.25 -41.47 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 0.0 110.428 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -66.68 -37.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.088 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.2 mmt -76.79 -29.25 55.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -64.14 -39.14 93.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.37 84.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.906 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.43 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.697 0.284 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 81.86 28.99 40.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.178 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.55 159.29 26.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.777 0.322 . . . . 0.0 110.285 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' SER . 39.5 mmtm -90.79 124.86 35.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.417 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -78.64 133.63 37.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.206 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.53 112.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.738 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' A' ' 131' ' ' LYS . 3.6 ptpt . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.782 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 10.5 tp10 -105.12 137.51 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t -96.13 116.08 28.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.296 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 52.5 tttm -123.92 116.02 22.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB2' HG23 ' A' ' 22' ' ' THR . 37.8 ttpt -116.06 139.52 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 111.826 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.687 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 17.6 p90 -126.61 167.11 16.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 170.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -154.74 118.67 4.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 0.0 110.38 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.11 133.21 55.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.691 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -92.75 96.19 10.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.49 101.11 13.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.605 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 63.6 18.52 11.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.85 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.78 -13.39 17.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.178 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 m -109.02 116.86 32.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.2 mt-10 -76.24 140.67 41.71 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 21' ' ' ILE . 17.8 mt -126.08 101.4 8.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.31 99.97 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.881 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 40.1 mt -101.65 117.41 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.9 m -104.87 101.17 10.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.833 174.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -103.75 128.02 51.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.651 0.738 . . . . 0.0 110.97 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 90.9 t -95.73 115.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.249 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -117.54 161.21 19.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.356 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -137.75 104.99 5.45 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -115.98 4.41 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -109.82 6.78 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.646 0.736 . . . . 0.0 109.595 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 34.6 ttmt -105.86 110.63 22.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.712 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.34 119.85 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' HD2' ' A' ' 29' ' ' LYS . 95.5 mt -103.49 -21.62 13.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -170.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.58 135.53 14.66 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HG3' HG23 ' A' ' 21' ' ' ILE . 32.4 tt0 -123.03 108.32 12.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.751 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 6.4 p -92.78 94.73 9.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.357 0.599 . . . . 0.0 109.927 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -97.82 118.06 33.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.765 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.63 112.04 23.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.15 0.5 . . . . 0.0 110.118 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 28.0 m -98.24 111.38 23.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.925 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 4.7 ttmp? -94.59 111.04 22.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 111.203 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.61 119.94 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.749 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.523 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -73.57 140.25 46.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.8 m-85 -59.61 -30.37 68.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 111.007 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.37 62.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.679 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -92.57 -31.45 15.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.577 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.6 tt -87.51 -25.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.05 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.8 38.28 14.29 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.299 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.13 131.59 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.736 0.303 . . . . 0.0 110.806 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 m -92.87 -34.12 13.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.307 0.575 . . . . 0.0 109.979 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -123.16 171.38 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.164 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -73.46 -26.56 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -68.67 -36.38 78.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.15 -46.15 89.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.192 0.52 . . . . 0.0 110.048 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HA ' HD13 ' A' ' 44' ' ' ILE . . . -58.67 -50.54 73.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.331 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -59.64 -44.73 93.4 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -57.49 -25.31 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 44' ' ' ILE . 2.6 m -99.25 -34.24 10.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.3 -27.43 22.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -173.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.3 mt-10 -56.74 -45.49 99.94 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 81.5 Cg_exo -43.13 -33.77 3.75 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.849 2.366 . . . . 0.0 113.333 170.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.49 -45.65 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.952 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 57' ' ' GLU . 62.3 p -67.81 -28.47 67.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 111.584 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.87 29.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.88 -2.57 58.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.87 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 75.9 m-85 -89.47 2.15 54.92 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -55.62 106.61 0.26 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.306 0.575 . . . . 0.0 111.966 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.19 43.06 21.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.567 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 22.2 mt -78.6 -35.07 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.547 0.689 . . . . 0.0 109.675 173.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.84 -154.22 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.74 2.8 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 168.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 85' ' ' THR . 18.8 m -81.77 108.84 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.736 0.779 . . . . 0.0 110.685 -173.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 22.2 tt0 -93.34 102.98 15.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.841 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.17 121.78 38.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.596 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 99.0 mttt -125.2 97.09 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.124 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.6 mt -82.92 98.7 9.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 172.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 108.99 19.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.085 -171.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.65 102.26 13.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -79.96 -51.96 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.413 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.17 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.721 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -101.9 -6.7 23.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.251 0.548 . . . . 0.0 110.997 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -142.01 145.95 35.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 111.034 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.74 120.44 41.99 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.496 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -97.93 110.21 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 32.8 tt0 -86.36 79.66 8.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 3.6 t-20 -82.16 102.97 11.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.498 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.435 HG11 ' CE2' ' A' ' 63' ' ' TYR . 32.2 t -111.57 130.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -175.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 14.6 m -110.58 103.48 12.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.002 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.97 107.33 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.572 0.225 . . . . 0.0 110.573 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.8 113.5 7.11 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.562 ' HA ' HG22 ' A' ' 91' ' ' VAL . 58.3 mtt -83.4 7.75 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.149 0.5 . . . . 0.0 110.594 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.2 mt-10 -78.52 -30.13 46.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.492 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -145.94 76.75 1.47 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.255 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 88' ' ' MET . 1.6 t -95.5 131.19 42.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.485 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -83.88 83.6 7.87 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 19.2 m-85 -61.72 -21.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.586 -174.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 94' ' ' LYS . 43.0 mtpt -73.64 -40.74 63.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.701 0.286 . . . . 0.0 110.454 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.86 -25.24 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 0.0 110.099 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.77 -27.24 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.11 -4.05 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.043 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.31 -21.44 51.84 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.713 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.017 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--O 1.236 0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.48 89.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.552 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -66.74 -39.05 87.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.791 0.329 . . . . 0.0 111.397 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.63 -30.25 64.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.3 114.33 3.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.524 ' HA ' HE21 ' A' ' 117' ' ' GLN . 1.7 mp -62.44 124.23 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.519 0.676 . . . . 0.0 111.682 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.63 173.97 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.047 176.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.27 -40.28 90.03 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.29 -50.21 67.84 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.418 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 113' ' ' ILE . 16.7 mt-30 -59.22 -64.64 0.87 Allowed 'General case' 0 C--O 1.201 -1.48 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.262 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.626 ' O ' ' HG2' ' A' ' 122' ' ' MET . 7.9 mmt -39.19 -53.12 1.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.454 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 16.2 mm-40 -60.05 -51.13 70.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.83 -26.51 59.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.337 0.589 . . . . 0.0 111.437 -177.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.8 -38.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.375 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.626 ' HG2' ' O ' ' A' ' 118' ' ' MET . 32.8 mmt -63.32 -41.88 98.95 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -64.31 -38.79 92.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.587 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.54 80.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.266 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.27 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.081 0.467 . . . . 0.0 110.874 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.18 38.48 4.55 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.79 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -83.88 147.07 27.73 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.479 ' HB2' ' HE3' ' A' ' 128' ' ' LYS . 34.7 ttmt -104.07 125.64 50.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.056 0.455 . . . . 0.0 110.879 -175.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.71 144.69 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.026 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.15 -34.34 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.743 -178.296 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 121.589 0.709 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 35.7 mt-10 -112.03 149.34 32.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.721 -171.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -130.81 121.14 24.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG3' ' HA ' ' A' ' 131' ' ' LYS . 40.6 ttmt -122.61 119.85 32.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.772 0.32 . . . . 0.0 110.275 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 ttpt -101.49 121.82 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.609 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 5.4 p90 -107.33 147.01 30.83 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.3 t -147.13 114.68 6.36 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.997 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.35 120.13 35.12 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.315 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 16.8 p-10 -89.59 103.71 16.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.704 0.764 . . . . 0.0 109.967 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD12 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -101.13 93.0 5.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.134 -174.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.9 t30 59.46 66.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.337 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 17.78 78.7 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 113.234 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -134.57 104.27 6.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.2 mt-10 -91.84 99.6 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.459 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.539 HG12 HG23 ' A' ' 37' ' ' THR . 39.7 mt -91.13 108.45 19.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.454 -0.499 . . . . 0.0 109.758 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.04 108.57 16.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.987 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.609 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.6 mt -101.74 110.93 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.4 m -97.42 89.49 4.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.99 176.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 18.0 p90 -91.47 126.6 36.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 111.277 -177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 56.1 t -89.89 121.1 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.263 174.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -129.8 154.62 47.05 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.35 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -134.34 104.17 6.03 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.37 -118.94 5.03 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.226 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -106.84 -1.77 22.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.567 0.698 . . . . 0.0 109.523 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.8 tmtm? -92.99 111.57 23.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.149 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.5 124.49 37.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.2 mt -102.41 -41.62 6.26 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -170.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.5 127.65 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -107.77 96.05 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.109 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 15.5 m -85.41 91.32 8.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.354 0.597 . . . . 0.0 109.877 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.498 ' HA ' HG12 ' A' ' 21' ' ' ILE . 34.6 t -97.37 101.05 12.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.838 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 37.3 mt-10 -101.31 108.59 20.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.945 0.402 . . . . 0.0 110.753 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 14.5 m -92.61 101.94 14.36 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 6.7 tppt? -82.07 101.61 10.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.82 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mt -102.31 115.61 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 -175.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.05 143.24 49.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.0 m-30 -64.48 -14.9 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.15 72.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.7 0.286 . . . . 0.0 111.422 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 m -85.28 -23.46 28.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.422 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 41' ' ' PHE . 11.8 tt -99.79 -25.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.006 0.432 . . . . 0.0 111.255 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.68 34.07 14.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.758 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -102.51 147.02 27.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -102.61 -38.9 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.514 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -138.16 -179.45 5.79 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.654 0.264 . . . . 0.0 110.661 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.7 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 7.4 ptpp? -60.6 -33.57 72.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.953 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.08 -36.54 77.73 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.323 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -55.61 -48.38 75.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.854 0.835 . . . . 0.0 109.32 175.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.79 95.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.046 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.46 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -55.94 -23.19 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.357 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.5 m -98.02 -49.68 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.774 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 mt -93.13 -9.84 38.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.39 -45.51 13.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 121.441 -0.787 . . . . 0.0 110.753 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -48.95 -31.94 21.68 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.163 1.909 . . . . 0.0 111.823 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -75.12 -46.64 33.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' OE2' ' A' ' 71' ' ' GLU . 3.9 p -66.62 -17.04 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.955 178.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' O ' ' HD2' ' A' ' 64' ' ' LYS . . . -72.0 1.02 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.824 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -88.73 -43.4 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 174.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 78.0 m-85 -90.95 3.19 55.31 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -174.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -59.38 105.5 0.35 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.045 0.926 . . . . 0.0 111.619 -171.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 50.3 65.16 1.52 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.782 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 30.1 mt -95.95 -77.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -121.85 -145.14 0.35 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.011 177.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . -75.94 48.96 2.44 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 171.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.13 101.63 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.56 0.695 . . . . 0.0 110.151 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.6 mt-10 -95.21 107.25 19.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.549 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HB3' ' A' ' 60' ' ' SER . 77.4 tt0 -110.47 129.27 55.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.04 0.447 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 51.0 tptt -132.4 106.65 8.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.81 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -91.88 99.69 12.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.775 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 68.0 p -101.78 108.95 20.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -119.87 120.65 37.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.566 0.698 . . . . 0.0 112.231 -176.343 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 m -100.28 161.81 13.36 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -77.44 58.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.334 0.587 . . . . 0.0 110.812 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 79' ' ' TYR . 5.2 t -171.58 -35.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.529 ' CD2' HG23 ' A' ' 78' ' ' THR . 44.0 p90 -153.05 153.15 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.305 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.47 127.63 54.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.187 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.584 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 33.4 tt0 -98.81 108.77 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.139 0.495 . . . . 0.0 109.904 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 20.4 tt0 -83.76 84.93 7.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.933 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 22.3 t-20 -81.02 101.59 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.037 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 34' ' ' SER . 22.7 t -107.67 147.37 12.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 23.6 m -143.0 106.54 4.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.1 mt -98.11 108.8 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.008 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 8.7 t70 -74.42 122.01 22.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.529 ' HA ' HG22 ' A' ' 91' ' ' VAL . 52.3 mtt -91.54 22.67 3.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.045 -173.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.91 -19.88 10.78 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.467 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -114.13 -12.15 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.57 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -61.67 137.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.5 104.23 14.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.903 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.53 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 8.9 m-85 -63.22 -13.92 43.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.115 -173.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -64.19 -38.33 90.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 0.0 110.639 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.57 -28.68 20.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 109.832 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 10.0 tp -58.83 -30.03 67.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.61 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.56 -38.04 68.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.548 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.62 -18.48 63.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 -176.045 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.73 64.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.82 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.21 -37.18 83.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.721 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -78.64 -53.33 7.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.16 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.81 115.03 1.6 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.453 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.9 118.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.762 0.792 . . . . 0.0 110.802 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.85 172.51 10.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.365 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.437 ' HE3' ' OE2' ' A' ' 119' ' ' GLU . 13.3 tpt -67.29 -43.62 81.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.331 -173.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.04 71.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.687 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.32 -64.01 1.1 Allowed 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.47 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 mmt -44.57 -41.07 6.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.437 ' OE2' ' HE3' ' A' ' 115' ' ' MET . 61.4 mm-40 -61.72 -57.94 9.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -76.43 -27.3 56.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.364 0.602 . . . . 0.0 111.304 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 t -72.54 -46.9 53.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.501 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.45 -26.48 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 175.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.28 -35.41 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.492 174.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.69 -37.92 67.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.24 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.37 32.47 7.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.505 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.69 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.1 m-85 -90.0 139.21 30.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 110.314 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -99.17 127.39 45.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 123.28 32.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.365 0.602 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.55 -16.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.059 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' A' ' 8' ' ' LYS . 44.8 mtpt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.21 145.53 51.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 -174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 t -96.74 129.14 44.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.126 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 8' ' ' LYS . 1.9 tppp? -113.73 99.21 7.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HG3' ' OG1' ' A' ' 22' ' ' THR . 46.1 tttp -95.5 108.74 21.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.586 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.762 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -115.6 152.34 33.27 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 173.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -148.34 130.17 15.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.81 113.05 16.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -82.49 104.87 13.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.85 174.18 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -76.67 54.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.164 0.506 . . . . 0.0 110.892 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.51 -54.88 0.22 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.867 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 HG12 ' A' ' 39' ' ' ILE . 8.2 p -115.28 146.04 41.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 111.768 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 7.0 mt-10 -105.35 102.22 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.528 HG12 HG23 ' A' ' 37' ' ' THR . 50.4 mt -98.34 118.58 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.988 0.423 . . . . 0.0 111.544 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.47 106.97 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.338 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.762 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 57.5 mt -108.78 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.715 0.769 . . . . 0.0 110.344 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HG3' ' A' ' 9' ' ' LYS . 7.2 m -103.9 94.52 5.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.314 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -103.7 128.0 51.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.409 0.624 . . . . 0.0 111.232 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.9 t -95.3 127.14 47.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.716 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 44.6 p90 -118.6 145.65 45.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.322 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -117.63 92.92 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.62 4.96 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.524 -176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -99.26 3.6 46.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.633 0.254 . . . . 0.0 111.255 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -121.72 133.34 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.242 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG3' ' A' ' 118' ' ' MET . 21.5 t -84.21 133.48 29.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 172.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -119.7 -20.07 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -171.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -146.94 117.06 7.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.995 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -108.51 106.85 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.433 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 7.1 m -89.09 102.78 15.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 33.2 t -106.83 103.32 12.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -112.59 104.29 12.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.28 0.562 . . . . 0.0 109.73 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.528 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -102.04 110.47 22.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 71.5 tttt -87.68 108.8 19.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.076 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 46.4 mt -100.45 122.9 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.3 147.88 37.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.9 m-30 -64.79 -23.84 67.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.86 88.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.812 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 p -84.55 -27.45 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.4 tt -83.05 -29.2 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.389 . . . . 0.0 110.826 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.16 32.68 8.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -114.46 148.29 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 m -105.59 -32.77 8.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -134.11 179.26 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 5.4 tmmm? -65.8 -35.46 80.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.66 -51.73 58.9 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.793 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.24 -41.24 90.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.01 92.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.607 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.23 76.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -62.82 -12.02 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.619 0.247 . . . . 0.0 111.577 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.3 m -99.26 -43.65 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 111.267 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.71 -33.83 17.4 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 71.5 mm-40 -55.5 -50.25 87.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -70.96 -11.84 29.82 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.931 1.754 . . . . 0.0 112.414 174.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 8.4 tt -84.17 -41.24 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 13.0 p -70.81 -26.96 63.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.278 0.561 . . . . 0.0 109.919 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -67.96 -9.91 49.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.278 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 59' ' ' LEU . 68.2 mttm -69.25 -30.99 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 110.219 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 37.8 m-85 -76.44 -57.94 3.57 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 6.1 mtmp? 65.26 -178.35 0.18 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.309 -174.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -86.53 71.59 10.39 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.456 0.646 . . . . 0.0 110.811 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.67 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.681 0.753 . . . . 0.0 110.079 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -143.34 -89.32 0.13 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.754 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . -119.47 33.42 4.67 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.873 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.7 m -91.37 98.9 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.238 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -94.41 121.21 35.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.276 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -108.7 93.99 4.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.09 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 23.7 tptm -106.96 114.52 28.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.085 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 mt -97.74 110.01 22.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -101.89 112.0 24.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.139 0.495 . . . . 0.0 110.702 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -95.33 103.06 14.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.561 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.16 59.32 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.143 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.3 t70 76.83 -57.6 0.53 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.556 169.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -114.75 -14.52 11.99 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.136 0.493 . . . . 0.0 111.317 -172.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -146.44 152.53 39.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.09 121.8 42.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.544 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 43.7 tt0 -103.97 123.24 46.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.19 91.34 7.69 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 9.9 m120 -78.82 89.8 4.66 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 35' ' ' SER . 39.4 t -104.54 130.88 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -173.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.3 m -122.04 112.46 18.28 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -107.57 98.08 6.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.683 0.277 . . . . 0.0 111.161 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.608 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.0 m-20 -70.75 111.01 5.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.124 0.488 . . . . 0.0 110.033 172.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 52.1 mtt -84.31 11.4 8.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.788 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.38 -13.27 58.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.935 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 38.4 ttmt -155.5 42.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -67.1 104.31 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.813 176.451 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -81.29 95.31 6.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 62.8 m-85 -69.36 -0.9 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.56 -176.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.62 -38.01 16.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.68 27.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.278 0.561 . . . . 0.0 109.695 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 7.4 tt -72.27 -7.2 48.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.678 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.89 -24.68 64.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.342 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.16 -1.69 78.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.177 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.478 HG13 ' HG ' ' A' ' 96' ' ' LEU . 10.8 pt . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 122.784 0.434 . . . . 0.0 109.873 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 111' ' ' LYS . 4.4 t70 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.97 0.414 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -67.57 -53.93 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -74.34 -4.64 37.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.617 0.722 . . . . 0.0 110.443 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 108' ' ' ASP . 59.4 tttt -82.77 -13.65 55.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.188 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.9 102.77 1.83 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 109' ' ' ALA . 48.6 mm -74.32 117.63 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.731 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 44.4 p -105.77 -178.46 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.988 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -42.92 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.99 69.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.791 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 8.3 mt-30 -65.02 -61.62 2.04 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.512 ' HG3' HG21 ' A' ' 30' ' ' VAL . 8.4 mmt -42.16 -48.52 4.82 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -57.65 -61.52 2.45 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.56 -24.49 61.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.733 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 5.0 t -80.67 -40.44 19.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.928 -177.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.49 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -66.15 -35.26 79.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.319 0.581 . . . . 0.0 109.773 172.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.39 -31.0 65.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.848 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.23 -17.78 38.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.648 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 78.15 49.66 6.76 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.94 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 37.8 m-85 -78.75 177.54 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.987 0.423 . . . . 0.0 111.122 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -115.11 123.06 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.8 127.52 33.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.13 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.8 t -88.59 -44.8 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.648 175.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.17 -57.37 4.63 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 59.57 91.95 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.638 0.775 . . . . 0.0 111.223 172.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 51.2 pttt -73.88 117.92 16.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.319 0.581 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 4.5 pt-20 -89.71 111.02 21.88 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 169.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -104.63 145.23 30.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 -164.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m -96.13 126.25 41.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.522 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 71.7 mmtt -112.92 114.48 26.99 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 131' ' ' LYS . 58.0 tttp -116.6 116.0 26.77 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.481 -171.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.645 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 13.1 p90 -109.54 160.8 15.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' ALA . 31.9 t -145.58 107.75 4.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.22 115.68 30.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.496 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -92.21 97.68 11.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -142.81 146.78 34.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.459 -174.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.5 t30 66.93 1.75 2.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.094 0.473 . . . . 0.0 112.025 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 -3.39 57.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.303 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 39' ' ' ILE . 3.6 p -108.07 128.83 55.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.535 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.0 mt-10 -94.38 94.58 8.35 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.56 HG12 HG23 ' A' ' 37' ' ' THR . 61.7 mt -93.9 107.09 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.928 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -118.8 107.02 13.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.168 0.509 . . . . 0.0 109.97 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 63.4 mt -96.73 116.84 39.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.794 -177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 9' ' ' LYS . 2.1 m -98.9 89.42 4.3 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.477 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.503 ' CE2' ' HG2' ' A' ' 118' ' ' MET . 28.7 p90 -96.61 124.35 40.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.486 0.66 . . . . 0.0 111.009 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 123.23 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.124 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -117.02 150.61 38.33 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.724 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 72.5 tttt -132.29 113.29 13.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.8 -115.96 4.15 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.889 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.15 3.74 13.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.03 0.443 . . . . 0.0 110.332 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.566 ' HD3' HD21 ' A' ' 31' ' ' LEU . 50.3 tttm -111.78 130.03 55.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.67 135.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD21 ' HD3' ' A' ' 29' ' ' LYS . 96.3 mt -120.58 -30.48 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -172.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.37 124.61 23.17 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.878 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . 50.6 tt0 -108.36 99.83 9.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.607 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 32.3 t -85.51 96.03 9.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG12 ' A' ' 21' ' ' ILE . 19.3 m -97.44 92.91 6.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.376 0.607 . . . . 0.0 109.506 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.7 107.26 19.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.854 -174.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG12 ' A' ' 19' ' ' ILE . 60.3 m -107.2 108.74 20.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.222 -176.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 81.9 tttt -86.32 98.87 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.284 0.564 . . . . 0.0 110.295 177.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.476 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -88.9 134.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.97 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -97.35 148.19 23.41 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.514 ' HA ' HG22 ' A' ' 44' ' ' ILE . 7.3 m-85 -71.71 174.43 6.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.39 -57.2 0.58 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.591 0.557 . . . . 0.0 110.951 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -62.86 -37.03 85.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 111.046 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.754 HG23 ' H ' ' A' ' 46' ' ' ALA . 6.9 tt -73.23 -17.79 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.282 0.563 . . . . 0.0 110.636 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -1.62 60.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.75 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.754 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -99.63 133.67 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.245 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -101.08 -19.89 15.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.965 0.412 . . . . 0.0 110.521 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.591 HG23 ' H ' ' A' ' 51' ' ' ASP . 8.3 t -133.04 158.17 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.343 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 21.6 pttp -63.48 -29.53 70.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.411 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.94 -52.43 63.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.352 0.596 . . . . 0.0 110.245 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' H ' HG23 ' A' ' 48' ' ' THR . 16.3 t70 -64.19 -32.31 73.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -48.19 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.887 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -61.99 -39.79 93.41 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.252 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.13 -17.28 57.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.187 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -97.05 -35.15 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.713 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -83.8 -44.1 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.585 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 49.3 mt-10 -48.88 -54.55 26.84 Favored Pre-proline 0 N--CA 1.467 0.416 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 86.6 Cg_exo -43.83 -39.55 10.69 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.899 2.4 . . . . 0.0 113.502 175.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.0 -46.95 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.284 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -64.89 -27.79 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.093 0.473 . . . . 0.0 110.677 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.07 -8.48 56.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.998 ' HB3' HD12 ' A' ' 99' ' ' ILE . 79.6 mttt -69.03 -34.31 75.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.548 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.638 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.1 m-85 -66.47 -48.45 69.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt 49.05 -93.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.082 0.864 . . . . 0.0 112.659 168.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -147.71 42.49 1.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 0.0 110.195 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 99' ' ' ILE . 58.6 mt -57.66 -43.24 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.684 0.754 . . . . 0.0 109.848 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -164.14 -149.59 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.212 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.06 54.1 3.05 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.433 -0.889 . . . . 0.0 110.947 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.2 m -96.07 102.77 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.455 0.645 . . . . 0.0 111.112 -175.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.749 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 36.3 mm-40 -93.68 130.84 39.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.464 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.2 101.9 8.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.191 0.52 . . . . 0.0 111.169 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.749 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.2 mptp? -104.9 97.94 7.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.063 -0.398 . . . . 0.0 110.999 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.37 98.99 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.95 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 72.9 p -101.74 109.16 20.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 13.5 p90 -143.35 131.94 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.351 0.596 . . . . 0.0 111.468 -175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -101.84 -65.87 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.713 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -171.47 -33.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.563 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.4 m -87.46 -34.76 18.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 111.459 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -148.2 159.77 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.339 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.06 110.77 13.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.606 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -98.13 107.21 19.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -177.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -88.68 92.89 9.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.484 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.76 106.57 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' A' ' 35' ' ' SER . 53.6 t -103.61 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.272 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 34.5 m -135.35 101.78 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.957 0.408 . . . . 0.0 109.997 175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 68.2 mt -95.26 114.65 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.326 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.5 t70 -83.74 119.79 25.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.55 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.408 ' HE1' HG13 ' A' ' 113' ' ' ILE . 51.3 mtt -91.9 21.37 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.929 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -109.86 1.95 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.271 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -147.45 15.52 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.252 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -65.13 134.62 29.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -101.77 108.92 20.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.768 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.539 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 61.3 m-85 -80.79 -8.91 59.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.508 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.03 -57.97 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.64 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 99' ' ' ILE . . . -71.95 -35.49 69.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.038 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.86 -31.3 59.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.774 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 27.2 mm-40 -64.64 -20.68 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -108.37 5.59 33.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.955 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.998 HD12 ' HB3' ' A' ' 62' ' ' LYS . 32.3 mm -106.63 -80.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.085 0.469 . . . . 0.0 110.387 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 m -88.63 -26.16 22.04 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.989 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.44 -71.03 2.34 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.553 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.2 mt 56.16 39.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.126 0.965 . . . . 0.0 109.317 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.72 31.83 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.274 -174.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.63 -42.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.9 t -141.08 120.79 13.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.063 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.87 68.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.05 -33.96 74.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.0 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.556 ' HA ' ' NE2' ' A' ' 117' ' ' GLN . 20.2 t0 -77.93 -56.16 4.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.837 -177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.54 71.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -173.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.81 -36.71 17.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -92.12 -10.19 39.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.539 ' HA2' ' CZ ' ' A' ' 93' ' ' PHE . . . 112.02 121.01 3.93 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.501 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.408 HG13 ' HE1' ' A' ' 88' ' ' MET . 16.8 mm -62.54 121.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.158 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.3 m -115.81 155.46 27.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.41 -41.93 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 118.07 0.396 . . . . 0.0 111.126 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.9 79.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.235 0.541 . . . . 0.0 110.506 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' A' ' 108' ' ' ASP . 13.2 mt-30 -68.67 -67.25 0.48 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.674 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.503 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -43.18 -44.9 5.36 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.456 . . . . 0.0 112.139 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 2.4 mm-40 -59.15 -65.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.82 -30.21 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.395 0.617 . . . . 0.0 111.404 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 t -79.29 -38.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.449 -174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 18.2 mmt -74.63 -29.74 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.633 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.1 mptt -69.21 -36.18 76.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 172.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.66 -29.9 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.656 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.32 -13.32 61.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.155 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.4 27.22 64.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.58 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -92.76 153.33 18.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.647 0.26 . . . . 0.0 110.337 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -103.34 122.13 44.18 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 110.478 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 6.8 pt-20 -82.15 137.52 34.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.1 0.85 10.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.492 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 49.4 mttp 61.0 -89.99 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.627 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 131' ' ' LYS . 40.3 mt -155.97 14.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 166.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.83 136.6 50.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.979 -169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -121.75 -17.09 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.063 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -97.89 26.22 5.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.708 0.766 . . . . 0.0 109.307 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -66.13 -25.06 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.771 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -79.47 93.01 5.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.033 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.13 -57.12 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.818 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.244 0.781 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.72 44.46 2.96 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.647 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -132.31 -34.74 1.21 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.102 0.477 . . . . 0.0 109.885 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -89.43 -20.23 24.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.685 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 179.86 142.84 0.15 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -145.85 151.32 37.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.2 p -137.27 135.89 37.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 0.0 111.165 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.917 ' HE2' ' HG2' ' A' ' 129' ' ' GLU . 14.2 tttt -134.14 98.06 4.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.068 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.1 ttmm -89.17 118.01 28.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.771 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.5 p90 -105.12 144.95 31.21 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 170.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.62 ' OG ' HG21 ' A' ' 130' ' ' VAL . 22.5 p -135.48 116.77 14.56 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.907 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.64 128.19 32.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 111.703 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 18.7 t-20 -88.11 99.81 12.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 172.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.81 84.85 4.65 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.297 177.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 74.56 -56.47 0.64 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.241 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.6 -34.65 0.12 Allowed Glycine 0 C--N 1.312 -0.799 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.768 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 123.69 39.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.633 0.254 . . . . 0.0 111.129 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 1.9 mt-10 -97.24 96.51 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.471 HG12 HG23 ' A' ' 37' ' ' THR . 57.9 mt -93.07 121.33 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.197 0.523 . . . . 0.0 110.891 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -116.55 103.63 10.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.262 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -101.17 124.41 54.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.155 0.502 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.2 m -108.56 105.85 15.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.963 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 7' ' ' SER . 50.3 m-85 -83.29 105.79 14.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.618 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -92.1 98.4 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.67 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 28.4 p90 -125.69 162.4 25.11 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.029 -172.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -141.31 116.91 10.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.8 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.3 -116.06 4.15 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -171.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -115.21 -12.24 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.761 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -93.99 123.06 37.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.048 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.67 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 19.2 t -74.44 124.23 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 169.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.7 -36.18 9.21 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.319 -171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -134.91 116.94 15.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 0.0 109.848 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -110.63 111.2 22.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.809 -176.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB3' ' HB ' ' A' ' 22' ' ' THR . 34.7 t -92.06 94.32 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.014 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 9.2 m -97.35 101.86 13.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 22.8 mt-10 -108.1 107.54 18.24 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.386 -171.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 11.0 m -87.18 107.94 18.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.142 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HG2' ' NE2' ' A' ' 40' ' ' GLN . 51.6 tttm -82.73 93.83 7.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.604 0.716 . . . . 0.0 109.83 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.6 mt -90.17 119.37 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.341 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.568 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 20.7 mm-40 -88.5 154.6 20.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -61.43 -31.31 71.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.632 0.253 . . . . 0.0 111.543 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.01 -18.67 59.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.874 0.369 . . . . 0.0 110.984 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 m -83.16 -37.51 23.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.986 0.422 . . . . 0.0 110.491 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 tt -87.25 -32.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.151 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.32 33.8 8.48 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.723 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -104.09 144.95 30.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.188 . . . . 0.0 110.626 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.35 -50.27 7.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.343 0.592 . . . . 0.0 110.391 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.2 p -127.89 176.0 7.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.01 -20.42 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.95 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.46 -51.42 63.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 9.1 m-20 -59.93 -41.25 91.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.333 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.93 51.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.324 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.474 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.4 -44.54 96.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.16 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -61.64 -17.3 54.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 m -95.73 -36.76 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.249 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.01 -36.38 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 33.1 mt-10 -51.84 -45.71 92.25 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 80.4 Cg_exo -41.38 -40.82 4.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.22 2.613 . . . . 0.0 114.08 172.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.33 -41.26 73.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.628 0.251 . . . . 0.0 111.24 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 m -60.99 -20.59 62.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 111.603 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.36 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.776 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.8 -34.45 60.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.938 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 95.0 m-85 -75.83 -20.74 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.492 -170.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 71.4 mmtt -78.63 22.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.082 0.468 . . . . 0.0 111.757 -175.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -135.19 5.99 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.437 0.637 . . . . 0.0 109.308 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.404 HG23 ' CB ' ' A' ' 92' ' ' ASP . 73.3 mt -126.02 93.56 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.177 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HD3' ' A' ' 90' ' ' LYS . . . 47.9 -146.06 0.28 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.672 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.89 29.5 7.94 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 t -85.44 111.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.95 143.33 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.066 0.46 . . . . 0.0 111.406 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 84' ' ' VAL . 40.9 tt0 -107.43 107.21 17.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.272 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -100.15 107.6 19.52 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.639 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 85.6 mt -84.44 124.75 31.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.1 p -119.53 121.04 38.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.447 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 44.3 m-85 -114.06 128.85 56.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 -175.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 m -108.59 -79.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.63 -67.7 0.25 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -100.56 0.55 39.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.572 . . . . 0.0 110.998 -174.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -149.96 157.14 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.64 130.87 38.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.603 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 23.3 mt-30 -99.33 119.3 37.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.367 0.603 . . . . 0.0 110.94 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 25.0 tt0 -85.8 88.33 7.54 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.264 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.0 t-20 -84.13 95.63 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.258 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.519 HG22 ' HG3' ' A' ' 71' ' ' GLU . 48.9 t -96.57 101.56 12.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.142 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.0 m -91.17 106.07 18.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.573 ' HA ' HG13 ' A' ' 69' ' ' VAL . 43.8 mt -99.39 124.2 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.735 -178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 11.3 t70 -91.37 113.99 26.4 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.538 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.8 mmt -90.2 6.41 42.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.498 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 25.5 mm-40 -84.29 -2.41 56.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.254 0.55 . . . . 0.0 109.715 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HD3' ' HB2' ' A' ' 67' ' ' ALA . 56.9 tttt -150.58 -62.05 0.19 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.271 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER 51.77 -167.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.319 -166.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 91' ' ' VAL . 14.6 t70 -144.47 95.16 2.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 159.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -69.78 -10.21 57.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.217 -170.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -86.24 -51.61 6.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.84 -10.97 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 110.454 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 18.4 tp -61.42 -17.56 54.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.676 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -62.66 -23.23 66.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.27 55.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.144 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.2 pt -133.35 15.95 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.958 0.409 . . . . 0.0 111.363 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -81.36 90.13 6.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.401 0.619 . . . . 0.0 111.218 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.01 14.12 57.91 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.161 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mt -76.11 100.4 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -82.99 54.16 2.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.587 0.708 . . . . 0.0 110.96 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.88 -72.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.3 p -156.65 120.39 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.404 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 110' ' ' LYS . . . -71.88 -3.68 23.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.516 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.3 -32.19 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.038 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.22 -41.26 96.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.68 0.752 . . . . 0.0 109.363 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.5 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -69.74 -10.09 57.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.511 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 44.1 mmtm -96.59 -33.91 11.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.338 0.589 . . . . 0.0 110.47 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.2 -30.75 34.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.747 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 142.08 108.01 0.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.152 -1.023 . . . . 0.0 112.732 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 109' ' ' ALA . 46.0 mm -76.0 112.77 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.001 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.3 p -127.94 179.05 5.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.4 tpt -71.69 -39.37 70.27 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.664 -0.415 . . . . 0.0 109.976 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.12 73.91 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.027 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.35 -66.51 0.5 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.479 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.466 ' O ' ' HB2' ' A' ' 122' ' ' MET . 23.1 mmt -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.36 -66.38 0.47 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.648 0.261 . . . . 0.0 111.352 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.14 -35.37 80.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.263 0.554 . . . . 0.0 111.215 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.5 t -70.7 -44.32 76.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.514 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.668 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -76.08 -30.48 58.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.686 0.279 . . . . 0.0 111.276 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.89 -19.55 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.64 47.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.203 0.525 . . . . 0.0 110.082 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.51 -17.95 57.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.55 38.83 6.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.414 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.668 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.9 m-85 -101.69 159.23 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -125.28 136.79 53.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 110.998 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.917 ' HG2' ' HE2' ' A' ' 8' ' ' LYS . 2.8 mp0 -69.66 139.22 53.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.578 177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.62 HG21 ' OG ' ' A' ' 11' ' ' SER . 45.3 t -118.26 -23.79 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.407 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 130' ' ' VAL . 51.5 mmtt 69.41 -171.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.325 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.68 105.89 15.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.27 0.557 . . . . 0.0 110.901 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.38 -26.37 42.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.438 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -86.28 45.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.598 -172.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 66.53 -83.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.894 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -148.59 162.15 40.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -142.46 28.12 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.108 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.42 -65.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.2 m80 . . . . . 0 C--O 1.242 0.691 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.747 174.199 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.87 79.46 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.309 -175.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -113.38 -34.39 5.63 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.956 0.502 . . . . 0.0 110.607 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 60.2 mttm -78.95 -54.44 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.273 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 35.0 tt0 -137.71 150.29 47.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.503 -176.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -146.02 141.29 27.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.2 m -116.42 129.8 56.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.373 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 11.1 mmtp -113.19 95.14 5.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.432 175.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 65.6 tttt -90.4 124.17 34.72 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.0 p90 -121.69 157.38 31.02 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.51 ' HB2' HG21 ' A' ' 130' ' ' VAL . 6.8 m -147.66 115.07 6.29 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.538 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 124.81 35.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.99 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 43.0 t-20 -92.65 108.38 19.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.12 43.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 110.787 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 77.13 -56.42 0.53 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.018 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.8 -37.28 9.52 Favored Glycine 0 C--N 1.313 -0.708 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.826 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 HG12 ' A' ' 39' ' ' ILE . 6.5 p -136.57 139.56 42.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.776 0.322 . . . . 0.0 111.278 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 2.8 mt-10 -102.47 97.37 7.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 37' ' ' THR . 54.0 mt -95.63 115.26 34.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.012 0.434 . . . . 0.0 111.128 -172.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.11 111.56 18.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.86 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 35' ' ' SER . 57.9 mt -113.36 128.78 70.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.029 -175.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.471 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 26.1 m -99.67 103.47 15.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 174.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB2' ' HB2' ' A' ' 8' ' ' LYS . 84.8 m-85 -82.82 102.34 11.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.645 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.41 98.57 8.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB3' HG22 ' A' ' 30' ' ' VAL . 45.9 p90 -109.55 144.14 38.24 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.482 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 32.1 ttmt -143.36 116.45 8.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.388 -173.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.23 4.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.058 -1.067 . . . . 0.0 110.537 -168.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -108.61 -30.61 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 110.684 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HD2' HD23 ' A' ' 31' ' ' LEU . 25.8 ttmt -90.07 145.96 24.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.268 -172.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 25' ' ' TYR . 39.3 t -80.12 94.28 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 167.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HD2' ' A' ' 29' ' ' LYS . 67.6 mt -70.29 -35.89 74.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -168.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -135.94 118.31 15.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.319 0.581 . . . . 0.0 110.618 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.41 103.87 13.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 26.1 m -87.72 90.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.045 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.561 ' HA ' HG12 ' A' ' 21' ' ' ILE . 5.8 m -97.6 97.51 9.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.264 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.06 109.27 21.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.128 0.489 . . . . 0.0 110.244 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 19' ' ' ILE . 85.8 m -95.51 110.44 22.51 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.446 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 28.4 tttm -82.4 104.05 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 109.752 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 17' ' ' THR . 56.2 mt -99.53 127.56 52.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.391 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -85.49 149.73 25.19 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.6 m-30 -64.92 -15.1 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.791 0.329 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.44 60.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.682 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -94.05 -30.79 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.548 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.1 tt -79.93 -30.48 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.53 36.7 13.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.981 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.01 146.77 33.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.49 -44.98 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.353 . . . . 0.0 111.525 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -128.41 175.56 8.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.216 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.68 -20.73 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.047 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.07 -48.52 73.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.48 -42.37 87.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.018 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.52 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.162 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.999 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -66.3 -13.01 59.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.4 m -99.39 -48.11 4.91 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 98.8 mt -93.38 -36.31 12.57 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -166.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 31.5 mt-10 -47.37 -50.14 50.23 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -172.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 14.9 Cg_endo -60.58 -12.78 22.47 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.228 1.952 . . . . 0.0 113.627 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -81.19 -42.39 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.755 0.312 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 m -61.31 -22.18 64.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.852 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -24.73 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.544 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -64.96 -27.42 68.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 111.009 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.623 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 58.1 m-85 -69.85 -33.93 72.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.248 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -77.58 12.66 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.072 0.463 . . . . 0.0 111.399 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -108.04 -8.75 15.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.445 0.64 . . . . 0.0 109.458 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -98.19 -71.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.576 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -169.25 -146.12 0.06 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.906 -174.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.18 13.53 3.43 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 173.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' TYR . 2.8 t -82.04 104.95 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -132.32 158.22 42.45 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.254 0.55 . . . . 0.0 111.474 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' HG3' HG22 ' A' ' 84' ' ' VAL . 39.4 tt0 -125.67 130.93 52.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.054 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -120.58 112.62 19.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.152 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.66 102.27 14.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.929 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 25.6 p -101.73 121.14 41.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.213 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -106.73 137.5 44.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.663 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 m -104.47 -83.8 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.0 -59.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -92.0 -17.56 24.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.659 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -145.53 164.11 32.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.051 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.31 48.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 21.7 mt-30 -99.57 113.62 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -88.39 85.58 6.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.92 102.95 8.54 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.083 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG22 ' HG3' ' A' ' 71' ' ' GLU . 50.4 t -106.99 106.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.235 -176.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.7 m -97.83 104.58 16.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.274 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.537 ' HA ' HG13 ' A' ' 69' ' ' VAL . 46.9 mt -97.79 122.83 49.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.74 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' ' 91' ' ' VAL . 23.3 t70 -98.31 115.39 28.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.4 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.3 mmt -93.83 13.13 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.292 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 5.3 mm-40 -89.68 -3.75 58.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.5 0.667 . . . . 0.0 109.505 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 84.9 tttt -143.3 -66.2 0.37 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.619 175.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 39.38 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.249 1.02 . . . . 0.0 113.524 -174.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 21.0 t70 -159.95 101.17 1.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.623 167.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -71.83 -3.64 23.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.83 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -85.73 -58.78 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.62 62.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.591 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 8.5 tp -55.8 -33.23 64.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.215 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.78 -36.3 47.05 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.769 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.14 86.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.542 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 96' ' ' LEU . 2.4 pp -138.4 22.12 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.165 0.482 . . . . 0.0 112.248 -177.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.4 m -76.46 103.29 6.39 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.337 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.5 -12.01 80.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.287 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.413 HD13 ' HE3' ' A' ' 118' ' ' MET . 4.7 mt -81.4 58.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 109.974 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -83.51 71.04 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.636 0.731 . . . . 0.0 110.916 -175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.1 t -107.76 -41.09 5.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 170.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.7 p -164.85 120.29 1.4 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.007 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.27 65.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.258 0.551 . . . . 0.0 111.098 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -76.73 -25.85 53.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.382 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.586 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 9.2 t70 -69.47 -37.96 77.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 0.0 110.376 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -66.73 -15.53 63.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.099 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -87.63 -16.04 35.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.376 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' A' ' 108' ' ' ASP . 80.8 mttt -78.04 -39.83 40.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.365 0.602 . . . . 0.0 110.314 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 104.52 1.55 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 109' ' ' ALA . 45.1 mm -75.08 105.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.548 0.69 . . . . 0.0 111.846 -172.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 43.1 p -117.38 -169.5 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.834 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.29 -35.22 61.33 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.32 -44.95 72.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.302 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.6 mp0 -58.95 -66.19 0.54 Allowed 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 176.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 122' ' ' MET . 25.9 mmt -50.27 -43.35 53.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.52 -60.42 3.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 111.452 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.56 -35.74 77.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.219 0.533 . . . . 0.0 111.201 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.7 t -73.17 -43.46 57.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.933 -174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.71 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -72.3 -31.64 65.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.743 0.306 . . . . 0.0 111.082 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.52 -16.12 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.85 48.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.116 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.58 -19.79 30.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.6 28.05 9.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.645 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.71 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 22.6 m-85 -86.38 148.71 25.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 0.0 110.689 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -120.43 142.59 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -61.76 159.13 14.2 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.855 0.836 . . . . 0.0 112.209 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 11' ' ' SER . 41.7 t -139.84 -44.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.402 177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' CA ' ' HB3' ' A' ' 9' ' ' LYS . 52.1 mttt 61.19 -177.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.77 -175.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.561 ' HG ' ' HD2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -109.51 89.26 2.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.419 -173.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -87.72 -23.67 24.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.193 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -85.71 83.77 7.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.833 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 68.13 165.58 0.24 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.415 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -86.69 154.51 20.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.498 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -134.64 -81.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.187 -173.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -69.97 -31.46 69.19 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.61 0.719 . . . . 0.0 109.836 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.8 m80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.277 -1.344 . . . . 0.0 107.89 176.789 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.967 0.413 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.33 -43.9 1.94 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -169.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.95 153.08 38.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 170.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 96.9 mttt -87.38 86.07 7.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.129 0.49 . . . . 0.0 111.986 -173.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.44 110.71 19.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.487 171.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -98.32 125.16 43.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.503 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 p -101.17 139.01 37.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.11 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' THR . 16.4 mmtp -136.06 111.23 8.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 172.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HD2' HD12 ' A' ' 132' ' ' LEU . 35.1 tttp -110.13 115.72 30.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.248 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 4.0 p90 -116.04 165.05 13.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 32.2 t -156.4 119.27 4.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.143 0.497 . . . . 0.0 110.57 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.31 110.33 21.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.026 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -89.28 89.03 7.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.508 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.2 pp -134.32 147.27 50.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.041 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t30 71.35 -14.2 0.49 Allowed 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.533 0.521 . . . . 0.0 112.234 173.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 110.06 6.34 28.05 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 -172.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 HG13 ' A' ' 39' ' ' ILE . 5.3 p -115.95 121.37 42.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.214 -0.493 . . . . 0.0 110.553 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.6 mt-10 -88.34 98.55 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 11' ' ' SER . 57.0 mt -92.41 92.72 3.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.04 0.447 . . . . 0.0 110.21 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.57 115.73 31.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.518 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.684 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.3 mt -118.3 126.41 75.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.25 -176.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 6.3 m -115.66 96.59 5.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.697 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.802 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 14.5 p90 -92.41 130.36 38.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.266 0.555 . . . . 0.0 110.637 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.95 126.72 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.766 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.8 p90 -132.97 156.22 47.7 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.773 -175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 57.0 mttp -118.03 99.05 6.65 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 171.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.45 -116.13 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.446 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.703 ' HA ' ' HB2' ' A' ' 115' ' ' MET . 32.4 t70 -99.55 -2.09 36.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.51 0.671 . . . . 0.0 110.082 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -98.33 101.97 13.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.692 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 14.5 t -78.34 115.95 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.55 -31.77 13.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 13.7 ptpt -160.58 164.13 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.119 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.802 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 25.7 tt0 -144.34 112.14 6.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.222 -171.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 m -85.69 100.42 11.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 m -110.55 104.45 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -110.17 108.12 18.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.936 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 19' ' ' ILE . 65.4 m -92.75 115.4 28.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.047 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.1 ttmt -96.92 110.06 22.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 17' ' ' THR . 4.6 mp -95.52 120.38 44.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.343 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 29.8 mm-40 -73.16 147.65 44.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -62.46 -29.64 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.956 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.27 -13.29 59.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.405 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -85.94 -37.12 19.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.219 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 tt -90.86 -29.31 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.802 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.85 34.26 11.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.688 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.56 172.01 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.359 . . . . 0.0 110.602 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -119.14 -53.31 2.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -118.03 176.29 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.269 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -67.79 -23.45 65.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.913 0.387 . . . . 0.0 110.008 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.2 mm-40 -67.84 -59.25 3.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.801 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -73.51 -16.0 61.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.07 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.216 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.15 86.52 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.619 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 64.0 mttm -66.36 -8.27 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.729 -174.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -98.18 -34.36 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.911 0.386 . . . . 0.0 110.654 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.58 -25.48 24.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.019 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 23.5 mm-40 -48.28 -54.39 25.89 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.473 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.0 Cg_endo -67.08 -19.03 51.77 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.017 1.811 . . . . 0.0 112.861 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.32 -48.78 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 m -64.09 -29.36 70.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.361 0.6 . . . . 0.0 110.242 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -69.21 2.24 3.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.159 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 99' ' ' ILE . 67.5 mttm -75.55 -31.0 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.044 -0.41 . . . . 0.0 110.631 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.644 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.7 m-85 -75.32 -56.74 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 31.6 mtmt 65.16 -93.07 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.742 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -149.38 40.14 0.84 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.276 0.56 . . . . 0.0 109.835 -174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 63' ' ' TYR . 68.0 mt -53.49 -42.02 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.629 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -168.8 -145.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.055 -174.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.48 45.36 2.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.874 171.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.1 m -93.91 111.37 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.316 0.579 . . . . 0.0 110.327 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.01 109.53 21.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.911 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.04 97.82 10.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.072 0.939 . . . . 0.0 109.621 175.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 66.3 mttm -101.8 104.85 15.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.861 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -84.95 106.19 16.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.493 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 2.5 p -106.69 125.97 51.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -112.54 117.06 31.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.012 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -85.82 -65.92 0.96 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.437 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 t70 178.09 -53.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.43 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.3 m -93.01 -11.84 32.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.381 0.61 . . . . 0.0 111.259 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -152.6 161.79 42.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 111.343 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.16 132.42 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.053 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 41.7 mt-30 -104.6 111.67 24.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.77 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.22 90.36 8.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 49.5 t-20 -82.88 101.02 10.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.77 105.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.413 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.6 m -93.61 103.31 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HA ' HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.06 141.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -175.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.642 ' O ' ' HB ' ' A' ' 91' ' ' VAL . 13.7 t70 -110.97 127.54 55.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 171.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.74 -3.03 59.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.501 -171.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.59 -45.9 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.98 0.419 . . . . 0.0 111.008 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -102.27 1.32 35.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 5.8 p -71.88 156.86 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.132 0.491 . . . . 0.0 111.041 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 24.9 t70 -123.24 117.86 26.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.39 -19.53 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.933 0.396 . . . . 0.0 111.055 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 6.1 ttpm? -65.02 -36.28 83.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.779 173.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.37 -24.32 59.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.674 HD23 HD12 ' A' ' 99' ' ' ILE . 71.6 mt -83.58 0.53 46.29 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.415 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -52.66 -51.92 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.023 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.11 17.68 58.84 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.749 HG12 ' HB3' ' A' ' 62' ' ' LYS . 54.9 mt -111.94 -40.44 3.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.493 . . . . 0.0 110.903 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -72.51 91.87 1.43 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.718 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.72 0.7 89.25 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 173.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.21 129.67 29.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.034 -0.583 . . . . 0.0 110.131 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.45 ' C ' HD22 ' A' ' 103' ' ' ASN . 0.2 OUTLIER -75.81 96.52 3.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 105' ' ' SER . 9.2 p -129.8 170.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 -169.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.507 ' H ' HG22 ' A' ' 104' ' ' VAL . 26.8 t -82.11 150.18 27.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.271 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.75 80.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.207 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.36 10.31 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.0 110.972 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.641 ' OD2' ' HB3' ' A' ' 117' ' ' GLN . 11.0 t70 -91.53 -64.53 1.11 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.148 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.11 -33.34 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.877 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.69 -33.98 71.49 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -99.19 -22.79 15.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 133.44 132.53 3.27 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.293 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.54 109.76 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 64.9 p -114.3 -179.47 3.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.812 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.703 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -66.61 -41.64 88.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.104 -177.361 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.87 67.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.452 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.641 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -57.35 -63.59 1.17 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.381 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 122' ' ' MET . 29.8 tpp -47.06 -45.99 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.623 0.577 . . . . 0.0 112.368 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 20.3 mm-40 -62.36 -62.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.33 . . . . 0.0 111.768 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.38 -34.31 75.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.185 0.517 . . . . 0.0 111.231 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.1 t -76.59 -41.53 34.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.162 -175.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.529 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.76 -33.64 71.0 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.988 -0.445 . . . . 0.0 111.212 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 13.5 mptt -73.51 -25.06 60.26 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.103 174.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.03 67.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.377 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.85 76.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.152 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 106.33 33.41 3.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.835 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.529 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 25.4 m-85 -92.03 128.01 37.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -102.31 139.24 38.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.353 . . . . 0.0 110.25 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 51.3 mt-10 -82.23 148.69 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.381 0.61 . . . . 0.0 112.027 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.5 t -93.99 -24.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt 69.31 97.11 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.349 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.528 HD12 ' HD2' ' A' ' 9' ' ' LYS . 5.5 tt -102.11 102.85 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.739 -177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.46 -100.73 0.28 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -153.64 -71.72 0.14 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 178.06 13.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.009 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.9 t60 49.42 81.35 0.06 Allowed 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.512 1.125 . . . . 0.0 112.968 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.71 86.61 7.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 170.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.95 -31.05 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.31 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.662 -0.685 . . . . 0.0 109.513 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.878 0.371 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.41 123.16 1.57 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.841 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.1 -41.11 74.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -118.44 147.28 43.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.827 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -97.03 178.74 5.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 mp0 -102.92 130.79 50.1 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.325 -171.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -121.46 116.92 25.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.009 0.433 . . . . 0.0 111.011 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HG2' ' HE1' ' A' ' 25' ' ' TYR . 19.7 mmtp -114.45 101.51 9.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.051 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -99.31 113.12 25.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.601 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 5.2 p90 -112.84 161.22 17.19 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -155.65 124.81 6.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.046 0.45 . . . . 0.0 110.39 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.79 141.83 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.908 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 15.1 t-20 -98.7 98.29 9.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 pp -133.75 142.5 47.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.523 -176.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 t30 63.76 16.97 10.16 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.578 0.704 . . . . 0.0 110.074 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.22 5.04 89.34 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.271 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.7 p -114.06 138.31 50.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.747 0.308 . . . . 0.0 111.296 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' OE2' ' HD2' ' A' ' 38' ' ' LYS . 4.8 mt-10 -93.44 97.59 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.534 HG12 HG23 ' A' ' 37' ' ' THR . 23.1 mt -93.32 106.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-O 121.144 0.497 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -114.63 110.77 20.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.003 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 65.0 mt -108.55 124.96 65.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.153 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -101.19 101.72 12.48 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.861 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -82.07 109.64 16.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 50.8 t -93.71 104.49 15.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 38.3 p90 -124.34 164.22 20.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.5 115.71 12.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.759 175.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.53 -115.91 5.23 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 110.622 -172.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -113.67 7.55 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.527 0.679 . . . . 0.0 109.363 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -98.29 107.94 20.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.312 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 20.1 t -76.9 113.61 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.0 -39.33 11.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.328 -172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 67.4 mttm -132.18 122.97 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.029 0.443 . . . . 0.0 110.799 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -107.55 96.05 6.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.473 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 50.9 m -85.52 97.76 10.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 109.874 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 16.6 m -97.38 100.32 11.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.048 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.9 mt-10 -98.74 108.67 21.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.198 0.523 . . . . 0.0 110.323 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 19' ' ' ILE . 24.2 m -99.38 104.72 16.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.618 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HD2' ' OE2' ' A' ' 18' ' ' GLU . 33.4 ttmt -87.29 106.02 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 17' ' ' THR . 55.0 mt -104.55 110.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.001 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.16 151.92 46.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.966 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -66.42 -29.84 70.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.769 0.319 . . . . 0.0 110.989 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -20.03 61.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -88.79 -33.97 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 tt -84.66 -31.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.9 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.54 37.77 7.94 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.2 160.79 14.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.752 0.31 . . . . 0.0 111.212 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 m -97.2 -67.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -121.63 -178.36 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.128 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -69.55 -32.08 70.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.185 -175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.2 mp0 -67.97 -44.03 77.63 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.96 -41.65 87.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.66 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.23 87.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.281 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.66 -45.53 93.62 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.85 -12.33 24.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.458 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.7 m -99.03 -45.71 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.343 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 86.5 mt -86.13 -21.49 27.56 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.59 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 36.0 mt-10 -60.6 -52.72 70.69 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.332 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 50.0 Cg_exo -51.18 -33.53 44.64 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.598 2.199 . . . . 0.0 112.612 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 37.6 tp -65.12 -61.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.099 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m -64.06 -20.93 66.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.932 0.396 . . . . 0.0 111.172 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -1.86 7.17 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.115 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -59.12 -44.04 92.0 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.645 0.259 . . . . 0.0 110.785 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.2 m-85 -64.19 -51.71 62.45 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.257 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttp 70.57 -80.43 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.601 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -157.23 44.04 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.9 mt -56.2 -42.37 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.436 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 90' ' ' LYS . . . -167.36 -147.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.828 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.9 53.42 2.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 170.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 86' ' ' ILE . 22.5 m -98.4 122.55 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 121.133 0.492 . . . . 0.0 109.92 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HG2' ' HB ' ' A' ' 85' ' ' THR . 14.6 pt-20 -116.84 116.19 26.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.563 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.84 99.18 9.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.987 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -101.58 106.99 18.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.498 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 86.9 mt -87.07 114.42 23.66 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.97 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 46.6 p -101.27 118.77 37.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 97.7 m-85 -110.94 102.06 10.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 m -77.19 -66.75 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.7 t70 177.06 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.232 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 p -90.14 -15.23 31.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.088 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -150.61 158.1 43.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.207 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.14 127.9 45.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.563 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 51.7 tt0 -113.32 124.33 52.23 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.329 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.635 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 32.3 mt-10 -84.04 92.66 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 24.3 t-20 -80.37 89.99 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' GLU . 36.9 t -102.89 140.14 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.218 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 64.7 m -130.28 105.45 7.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.931 0.396 . . . . 0.0 110.054 175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.732 ' HA ' HG12 ' A' ' 69' ' ' VAL . 55.9 mt -95.25 111.66 26.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.251 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.54 ' OD2' ' HG3' ' A' ' 90' ' ' LYS . 20.4 t70 -82.35 117.73 22.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 91' ' ' VAL . 24.6 mmt -87.35 -2.91 58.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.729 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.22 -19.16 36.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.184 0.516 . . . . 0.0 109.785 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 14.7 mtpp -127.64 -1.44 6.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.253 -175.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 9.5 p -72.08 134.41 29.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.729 0.776 . . . . 0.0 111.414 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 94' ' ' LYS . 13.6 t70 -91.28 118.89 30.87 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.295 176.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 95.3 m-85 -82.0 -6.48 59.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.841 -177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 61.5 tttp -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.78 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.095 172.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 52.7 mt -73.24 1.0 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.244 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.788 ' HA ' ' HE3' ' A' ' 110' ' ' LYS . 8.8 tt0 -66.96 -27.51 67.52 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 171.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -115.67 -8.8 13.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.617 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.5 mt -126.51 143.33 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.1 p -147.08 -67.06 0.26 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.78 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.9 5.25 89.58 Favored Glycine 0 C--N 1.316 -0.543 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 54.6 mt -116.88 125.38 73.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.975 -0.612 . . . . 0.0 109.403 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' HB ' ' A' ' 104' ' ' VAL . 10.4 m120 -89.09 -160.28 0.65 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.894 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG21 HG13 ' A' ' 121' ' ' VAL . 89.7 t 78.18 -72.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 123.228 0.611 . . . . 0.0 110.373 -177.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -150.31 121.17 7.61 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.151 0.5 . . . . 0.0 111.199 176.143 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' LYS . . . -65.47 -22.53 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.712 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.52 -26.06 67.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.908 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.901 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 0.5 OUTLIER -67.83 -28.49 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.567 -178.128 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.42 -4.31 59.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.229 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.788 ' HE3' ' HA ' ' A' ' 97' ' ' GLN . 47.1 mmtm -93.05 -41.75 9.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.446 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.901 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 60.1 pttt -71.04 -33.91 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.894 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.73 141.14 4.22 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.456 HG23 ' SD ' ' A' ' 118' ' ' MET . 31.1 mm -103.99 120.21 53.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.149 0.499 . . . . 0.0 111.518 -176.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -128.22 -177.52 4.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.4 tpt -77.51 -22.23 51.51 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.151 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.19 60.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.21 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.94 -66.33 0.44 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.746 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.603 ' O ' ' HG2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -44.54 -51.59 8.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -176.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.87 -54.92 40.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.555 0.616 . . . . 0.0 111.766 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' LEU . 2.7 tm? -69.16 -33.33 73.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.45 0.643 . . . . 0.0 110.46 -175.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.555 HG13 HG21 ' A' ' 104' ' ' VAL . 7.8 t -76.98 -38.48 28.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.679 -174.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.603 ' HG2' ' O ' ' A' ' 118' ' ' MET . 33.0 mmt -63.29 -42.07 99.05 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.72 -43.7 98.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.748 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.35 85.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.393 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.06 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.384 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.6 31.42 7.47 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.172 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.405 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 23.4 m-85 -83.18 139.81 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.791 0.329 . . . . 0.0 110.603 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' A' ' 128' ' ' LYS . 16.0 ptpt -102.02 133.82 46.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -85.16 135.58 33.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.262 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.38 -41.76 7.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.762 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.579 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 10.6 mtmp? 67.09 -171.22 0.19 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.1 mp -115.99 -5.56 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -168.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.579 ' OE2' ' HB3' ' A' ' 131' ' ' LYS . 1.9 mp0 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.945 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -114.74 11.41 16.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.139 0.495 . . . . 0.0 110.635 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -87.35 -78.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -141.7 -77.73 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 45.8 t60 53.16 48.22 22.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.48 -85.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.144 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 59.6 t60 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.449 179.393 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.594 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.71 18.49 67.97 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.54 174.16 10.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.074 -0.563 . . . . 0.0 110.315 -174.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -103.19 171.5 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.516 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.475 ' HG3' ' HD2' ' A' ' 26' ' ' LYS . 6.7 mp0 -77.27 113.88 15.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 172.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -97.8 162.59 13.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.324 -171.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 t -129.88 126.5 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.23 0.538 . . . . 0.0 111.359 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 5.4 mmmm -113.17 131.89 55.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.142 172.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -126.3 122.66 36.09 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.148 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.714 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 2.7 p90 -126.01 162.07 26.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 9.9 t -152.88 116.02 4.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.172 0.511 . . . . 0.0 109.827 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.02 109.46 20.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.809 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.481 ' N ' HD22 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -89.63 87.82 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.564 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 pp -114.36 132.33 56.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.67 -177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 73.65 -32.0 0.23 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.716 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 147.75 -11.88 1.29 Allowed Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.412 ' CG2' HG12 ' A' ' 39' ' ' ILE . 86.1 m -97.67 133.91 41.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.599 0.237 . . . . 0.0 110.732 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 29.5 mt-10 -88.57 109.6 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 11' ' ' SER . 47.7 mt -90.93 96.67 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.5 102.18 11.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.728 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.714 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 51.9 mt -101.51 101.62 12.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.294 0.569 . . . . 0.0 109.992 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -94.67 94.28 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.973 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 19.5 p90 -100.78 131.7 46.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.607 0.718 . . . . 0.0 111.583 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.4 123.32 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.903 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE1' ' HG2' ' A' ' 8' ' ' LYS . 27.5 p90 -126.12 158.9 34.31 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.069 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 70.6 tttt -141.79 115.23 8.95 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.18 -134.52 29.19 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -169.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -103.8 68.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.546 0.673 . . . . 0.0 109.462 173.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -167.17 122.73 1.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.098 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 15.4 t -89.99 120.53 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -102.25 -21.98 14.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.626 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -140.66 120.1 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.746 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 51.9 tt0 -107.65 100.02 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.419 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 8.5 m -88.88 96.3 10.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.897 0.38 . . . . 0.0 110.419 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HG12 ' A' ' 21' ' ' ILE . 14.3 m -97.14 101.75 13.38 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 2.7 mt-10 -110.98 112.04 23.58 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.626 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 20.5 p -95.47 106.05 18.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.219 0.533 . . . . 0.0 111.135 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 29.4 ttmt -87.48 93.0 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.915 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.568 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 31.6 mt -91.75 127.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 42' ' ' ALA . 30.9 mm-40 -80.4 150.98 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.26 25.3 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.808 0.337 . . . . 0.0 111.745 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 40' ' ' GLN . . . -126.54 -4.86 6.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.125 0.488 . . . . 0.0 110.097 174.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -118.54 -18.46 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.003 -177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 8.1 tt -87.61 -38.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.076 -174.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.8 35.36 5.4 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -172.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.38 126.61 50.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.612 -0.294 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 48' ' ' THR . 12.3 t -100.81 -15.06 17.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.203 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.638 HG23 HG23 ' A' ' 47' ' ' THR . 61.5 p -138.6 172.27 13.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -39.74 89.11 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.534 0.683 . . . . 0.0 109.487 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.9 -35.92 64.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.036 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' HB2' ' H ' ' A' ' 48' ' ' THR . 4.9 m-20 -62.41 -40.58 96.98 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.176 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.84 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -64.71 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.897 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 51' ' ' ASP . 7.7 ttpm? -57.48 -24.05 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.995 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 61.4 m -93.12 -45.99 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.546 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 59' ' ' LEU . 69.7 mt -81.97 -30.5 31.62 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 56.0 mt-10 -57.15 -53.72 62.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.396 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 30.2 Cg_endo -64.83 -22.55 63.37 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.863 1.709 . . . . 0.0 112.669 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.611 HD12 HD23 ' A' ' 56' ' ' LEU . 68.9 mt -74.65 -53.77 8.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.728 0.299 . . . . 0.0 110.497 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -64.64 -31.16 72.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.476 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.42 -7.74 34.36 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.09 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' HD23 ' A' ' 59' ' ' LEU . 68.9 mttm -69.84 -26.15 64.09 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.407 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.8 m-85 -71.43 -55.14 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm 66.47 39.78 3.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.26 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m120 57.72 57.98 3.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.746 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ASP . 67.8 mt -53.26 -72.63 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.547 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -156.42 102.69 2.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.1 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.13 21.73 53.9 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.443 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 86' ' ' ILE . 16.4 m -85.39 118.97 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.763 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 42.5 mt-10 -93.54 92.7 7.7 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.774 175.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.64 94.03 9.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.87 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 65.6 mttm -115.08 123.6 49.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.831 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.93 111.77 24.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 42.5 p -101.77 113.67 27.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 0.0 110.447 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.499 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 94.6 m-85 -108.64 103.51 12.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 5.1 m -79.43 -72.52 0.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 76' ' ' THR . 23.0 t70 174.0 -46.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.595 175.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m -90.1 -13.24 36.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -154.1 153.8 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.45 126.15 38.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.318 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.536 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 42.6 tt0 -110.9 115.2 29.1 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.018 0.437 . . . . 0.0 110.632 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.626 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 44.4 tt0 -85.24 93.58 8.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -86.61 101.83 13.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.63 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 82' ' ' GLU . 28.7 t -113.64 104.6 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.106 0.479 . . . . 0.0 111.213 -176.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.9 m -98.26 105.44 17.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.634 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.735 ' HA ' HG12 ' A' ' 69' ' ' VAL . 5.2 mp -92.75 125.64 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.646 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 91' ' ' VAL . 18.2 t70 -84.94 115.9 23.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.539 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 33.0 mtp -94.04 14.86 18.51 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.87 -169.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -102.17 -5.1 24.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.968 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 15.8 ttmm -139.28 2.01 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.507 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -47.8 129.44 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.604 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HB3' HG23 ' A' ' 66' ' ' ILE . 24.6 t70 -98.32 98.12 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.92 170.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -71.45 -12.42 61.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.916 -175.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.62 -47.19 86.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.328 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.78 -46.25 15.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.744 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.55 -23.98 65.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.854 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -57.58 -26.39 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.09 -27.22 31.7 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.104 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.45 103.52 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 117.09 0.445 . . . . 0.0 111.37 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.1 p -163.59 -57.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.282 0.563 . . . . 0.0 110.98 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.01 20.69 78.04 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.438 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.3 mt -99.22 142.17 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.441 -0.379 . . . . 0.0 109.989 -176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.694 ' HB3' ' HA ' ' A' ' 125' ' ' ALA . 7.7 t30 -75.25 78.63 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.88 146.51 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.691 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.503 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . 40.3 t -76.84 139.91 40.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.217 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.68 66.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 39.3 mt-10 -74.08 -23.27 59.32 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.078 176.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.937 ' HA ' ' HE2' ' A' ' 111' ' ' LYS . 5.5 t70 -90.34 -49.95 6.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.009 0.433 . . . . 0.0 110.13 -174.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -57.16 -39.91 76.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.384 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -82.94 4.08 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.937 ' HE2' ' HA ' ' A' ' 108' ' ' ASP . 61.1 mttm -78.01 -34.39 50.75 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.588 0.709 . . . . 0.0 109.323 171.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.61 94.99 2.38 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -166.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 109' ' ' ALA . 43.5 mm -63.07 127.1 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.688 0.756 . . . . 0.0 112.073 -168.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 35.8 p -107.28 -173.64 2.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.684 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -74.32 -43.83 55.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.51 -45.07 85.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.469 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.587 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 36.1 mt-30 -59.47 -59.12 5.95 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.917 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.507 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -46.99 -50.21 19.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.441 0.463 . . . . 0.0 112.173 -178.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.52 -57.99 10.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 111.69 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.07 -36.99 80.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 111.422 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -75.4 -39.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.97 -174.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.1 mmt -70.6 -38.11 73.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.854 0.359 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.6 -12.32 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.936 0.398 . . . . 0.0 110.236 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.8 -27.99 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.957 171.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.694 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -73.27 -10.15 59.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.928 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.3 16.59 60.36 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.968 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -90.99 154.7 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 13.3 ptmm? -118.24 143.28 46.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.781 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 23.5 mt-10 -73.81 147.61 43.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.681 177.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.3 m -119.18 -17.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 59.58 -157.42 0.33 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.151 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mp -134.16 -178.03 4.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 161.38 12.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -77.75 104.06 8.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.505 0.669 . . . . 0.0 110.275 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -112.2 97.98 7.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.169 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.59 15.12 2.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.011 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -85.85 97.0 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.511 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -83.68 -43.0 16.01 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.96 171.54 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.446 ' HA3' ' HG2' ' A' ' 6' ' ' GLU . . . -139.74 -152.81 5.92 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.161 -0.542 . . . . 0.0 111.778 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' OD2' ' HG3' ' A' ' 4' ' ' LYS . 32.4 t70 -153.75 -70.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.802 0.301 . . . . 0.0 111.241 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HG3' ' OD2' ' A' ' 3' ' ' ASP . 67.3 mttm -97.24 -77.76 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.61 . . . . 0.0 109.718 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.89 111.89 24.63 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 170.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 3' ' ' ASP . 39.0 mt-10 -99.39 140.77 33.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.299 -164.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 36.5 m -102.74 142.3 34.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.287 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' THR . 84.5 tttt -144.43 132.56 21.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.843 177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 9.3 tppt? -108.61 128.84 55.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.467 . . . . 0.0 111.274 -175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 1.5 p90 -127.34 147.35 50.25 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 165.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.622 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 23.2 t -142.86 106.39 4.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.764 0.316 . . . . 0.0 110.223 -174.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.02 46.66 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -93.21 96.02 9.74 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.14 96.21 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.278 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 70.96 -54.28 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.952 0.901 . . . . 0.0 111.544 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.524 ' HA3' ' OG ' ' A' ' 43' ' ' SER . . . -169.43 26.62 0.12 Allowed Glycine 0 C--N 1.312 -0.753 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 39' ' ' ILE . 3.6 m -122.86 99.5 6.42 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 3.5 mt-10 -83.04 92.98 7.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.0 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.576 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -91.38 108.66 20.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.287 0.565 . . . . 0.0 110.749 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 106.27 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.494 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.658 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 58.8 mt -110.58 128.62 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.157 0.503 . . . . 0.0 111.034 -178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 4.1 m -112.12 116.98 31.37 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.834 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' A' ' 7' ' ' SER . 18.3 m-85 -81.29 147.05 30.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 49.6 t -119.88 95.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 163.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.538 ' HB3' HG22 ' A' ' 30' ' ' VAL . 51.2 p90 -109.68 138.68 45.69 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.966 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -113.6 99.22 7.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.369 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.35 -116.05 4.82 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -172.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -111.61 30.68 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.593 0.711 . . . . 0.0 109.697 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -127.0 110.33 12.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.238 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 25' ' ' TYR . 15.3 t -80.16 95.13 2.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 172.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 89.7 mt -91.24 -9.08 46.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.548 -170.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 38.8 mttp -151.87 136.39 16.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.68 0.276 . . . . 0.0 110.433 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.693 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 8.7 tt0 -125.83 119.7 28.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -102.33 99.04 9.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.037 0.446 . . . . 0.0 110.242 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 m -103.47 117.14 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.702 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 41.9 mt-10 -115.27 107.02 14.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.188 0.518 . . . . 0.0 110.181 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.576 HG23 HG12 ' A' ' 19' ' ' ILE . 30.9 m -90.19 112.41 23.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.983 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 39.2 tttm -99.9 97.76 8.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.215 0.531 . . . . 0.0 110.281 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.445 HG13 HG23 ' A' ' 17' ' ' THR . 4.0 mp -93.34 128.24 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.502 -176.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.88 133.34 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 49' ' ' LYS . 10.5 m-30 -61.57 -33.36 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -174.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.39 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.524 ' OG ' ' HA3' ' A' ' 16' ' ' GLY . 11.4 m -91.3 -43.5 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 41' ' ' PHE . 9.7 tt -70.88 -26.37 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.426 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.23 24.25 17.22 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.939 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -102.56 129.79 49.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.866 0.365 . . . . 0.0 110.532 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.9 m -82.76 -47.26 12.14 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.203 0.525 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' GLU . 26.9 m -107.19 155.99 19.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.602 -176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 5.7 ttpm? -52.57 -44.23 65.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.122 0.486 . . . . 0.0 110.817 174.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' H ' HG22 ' A' ' 48' ' ' THR . 2.2 mm-40 -67.79 -28.38 67.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.408 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.82 -30.21 63.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.937 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.54 -35.4 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.519 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.57 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -57.57 -18.87 21.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.8 m -98.35 -42.94 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.3 mt -79.72 -36.24 37.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.609 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 56.3 mm-40 -51.93 -53.66 49.0 Favored Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 46.0 Cg_exo -52.83 -37.95 77.53 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.355 2.037 . . . . 0.0 113.559 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 55' ' ' THR . 8.7 mp -69.68 -53.87 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -170.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -65.11 -29.52 70.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.756 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.29 -0.31 3.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.797 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.683 ' HB3' HG12 ' A' ' 99' ' ' ILE . 94.1 mttt -87.25 0.58 55.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 175.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 66' ' ' ILE . 45.7 m-85 -112.52 -17.87 12.55 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.614 ' O ' ' HD2' ' A' ' 64' ' ' LYS . 1.4 pptp? -51.81 115.07 1.48 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.522 0.677 . . . . 0.0 112.612 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.6 m120 65.68 30.78 10.18 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.587 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 62' ' ' LYS . 39.5 mt -73.4 -33.28 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.864 0.84 . . . . 0.0 109.508 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -171.86 -149.08 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.436 -1.256 . . . . 0.0 108.0 -175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.39 54.05 2.35 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.337 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 86' ' ' ILE . 3.7 m -110.21 124.92 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.178 0.513 . . . . 0.0 110.874 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.41 116.12 27.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -93.11 125.03 37.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 83' ' ' ASN . 66.0 mttp -130.73 96.19 4.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.87 0.367 . . . . 0.0 110.502 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 74.3 mt -83.53 105.92 14.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.277 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.5 p -106.64 109.98 22.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.42 0.628 . . . . 0.0 110.807 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 62.6 m-85 -99.15 134.99 41.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.0 p -101.83 -77.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.048 0.451 . . . . 0.0 110.726 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -174.16 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.217 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m -109.89 -23.9 11.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -143.91 166.48 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.8 140.46 44.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.015 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' THR . 23.7 mt-30 -117.27 122.74 44.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.916 0.389 . . . . 0.0 111.487 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 31.2 mt-10 -84.9 90.47 7.8 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 169.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 13.7 m120 -78.82 94.17 5.12 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 t -111.52 128.85 67.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.166 0.508 . . . . 0.0 111.409 -172.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.687 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.5 m -110.88 111.4 22.52 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.792 ' HA ' HG12 ' A' ' 69' ' ' VAL . 72.5 mt -110.29 107.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.8 t70 -69.34 126.94 31.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 78.8 mtp -107.12 17.18 23.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 31' ' ' LEU . 45.4 mt-10 -94.93 -34.87 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -115.07 22.36 13.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.45 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -52.38 110.27 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 121.105 0.479 . . . . 0.0 111.168 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.8 89.25 5.8 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.56 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 70.5 m-85 -65.68 -15.81 63.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -66.01 -48.09 72.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.541 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.5 49.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.716 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 33.0 mt -60.41 -19.18 55.18 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.44 -21.94 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.834 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.43 -2.68 63.49 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.683 HG12 ' HB3' ' A' ' 62' ' ' LYS . 4.2 mp -128.46 -90.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.756 0.278 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m 60.63 -85.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.365 0.666 . . . . 0.0 111.907 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.21 0.72 70.39 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.161 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.92 131.33 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 110.387 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.72 87.3 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.067 0.461 . . . . 0.0 109.885 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 105' ' ' SER . 9.7 p -148.67 171.85 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.3 -177.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.508 ' H ' HG22 ' A' ' 104' ' ' VAL . 10.5 p -91.1 175.71 6.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.529 ' HB1' ' HE2' ' A' ' 110' ' ' LYS . . . -83.19 -24.28 32.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.48 16.41 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.686 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -126.09 -67.2 0.88 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -59.65 -52.57 64.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.848 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.529 ' HE2' ' HB1' ' A' ' 106' ' ' ALA . 46.6 mtmt -85.11 4.22 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -175.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -97.16 -32.22 12.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.22 115.61 1.68 Allowed Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.617 HD11 ' HA ' ' A' ' 109' ' ' ALA . 27.1 mm -85.31 137.31 21.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.364 0.602 . . . . 0.0 111.587 -174.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.48 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 66.6 p -127.14 -172.44 2.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.729 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.78 -47.51 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.13 68.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.48 ' HB2' ' H ' ' A' ' 114' ' ' THR . 3.7 tp60 -54.94 -71.81 0.08 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.696 173.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -55.94 -30.67 62.04 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -59.07 -62.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.474 . . . . 0.0 110.53 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.08 -41.36 98.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.628 0.728 . . . . 0.0 111.5 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.7 t -79.38 -48.13 21.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 114.674 -1.148 . . . . 0.0 112.354 -169.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.706 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -72.18 -33.52 67.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 0.0 111.079 -179.106 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.18 -21.23 54.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.442 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.5 70.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 110.409 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.18 -15.35 62.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.836 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 79.22 37.04 25.8 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.167 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 122' ' ' MET . 22.7 m-85 -78.73 161.87 26.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.396 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' A' ' 11' ' ' SER . 87.8 tttt -91.92 101.0 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.162 0.506 . . . . 0.0 109.845 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -85.83 126.54 34.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.176 -174.359 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 131' ' ' LYS . 42.9 t -117.85 -20.7 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' A' ' 129' ' ' GLU . 13.7 mptt 62.02 -114.2 0.52 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -165.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 133' ' ' GLU . 3.9 pp 168.65 -32.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 109.871 173.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.588 ' N ' HD12 ' A' ' 132' ' ' LEU . 44.3 tt0 -75.6 -35.75 60.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.485 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.24 13.1 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.749 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -70.33 123.19 21.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.177 0.513 . . . . 0.0 111.028 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.66 -27.02 14.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.068 0.461 . . . . 0.0 109.904 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -101.97 139.55 37.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -91.78 149.31 21.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 111.552 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 . . . . . 0 C--O 1.244 0.814 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.548 175.586 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.63 50.87 2.58 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.08 -52.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 123.536 0.734 . . . . 0.0 109.538 -170.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 74.81 155.03 0.16 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.739 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.31 100.35 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.208 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 66.4 mt-10 -97.69 137.27 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.663 ' HB2' HD11 ' A' ' 132' ' ' LEU . 13.7 m -95.45 111.69 23.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -114.1 115.53 27.69 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 37.0 ttpt -107.23 147.35 30.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 21' ' ' ILE . 3.8 p90 -126.62 144.47 50.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 164.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -137.83 106.55 5.9 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.027 0.442 . . . . 0.0 110.396 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.33 122.97 41.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.233 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 18' ' ' GLU . 5.4 t30 -80.94 93.91 6.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.35 84.28 7.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.824 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 62.52 8.27 2.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.862 173.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.61 -44.64 0.62 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.909 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 HG12 ' A' ' 39' ' ' ILE . 1.9 p -82.28 118.88 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.933 0.396 . . . . 0.0 110.842 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 2.6 mt-10 -86.41 96.06 9.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.329 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 HG12 HG23 ' A' ' 37' ' ' THR . 34.8 mt -93.03 110.29 22.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.263 0.554 . . . . 0.0 110.992 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.93 108.91 19.34 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.35 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 43.8 mt -112.85 113.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.089 -177.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.44 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 7.8 m -104.93 108.53 20.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.683 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -106.0 120.51 41.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.415 0.626 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 93.1 t -91.48 121.55 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.501 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 28.2 p90 -119.31 154.47 33.46 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.459 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 4.0 ttmp? -123.42 94.96 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.08 -116.2 4.22 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.995 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.52 -12.31 29.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.796 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' A' ' 31' ' ' LEU . 16.6 ttmm -112.67 121.77 45.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -170.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.6 t -76.16 133.22 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD22 ' HG2' ' A' ' 89' ' ' GLU . 94.7 mt -121.41 -3.2 9.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -166.27 117.19 0.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.911 0.386 . . . . 0.0 111.23 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -111.41 103.97 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -90.02 100.71 13.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.27 0.557 . . . . 0.0 110.363 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' HG12 ' A' ' 21' ' ' ILE . 6.1 m -105.08 113.08 26.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.222 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 36.6 tt0 -114.38 111.15 21.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.235 0.54 . . . . 0.0 110.266 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 19.6 m -89.48 108.46 19.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.029 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 34.3 tttm -87.15 108.38 18.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.476 0.655 . . . . 0.0 109.863 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 HG22 ' A' ' 17' ' ' THR . 45.1 mt -107.9 133.49 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.453 -173.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.55 139.65 30.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.033 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.97 -31.8 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.34 63.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.406 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -88.77 -43.13 11.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 0.0 110.393 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 tt -79.05 -18.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.973 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.16 38.01 16.59 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.407 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.56 116.24 31.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.773 0.32 . . . . 0.0 110.339 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 -14.04 51.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.765 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -151.57 176.42 11.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.089 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.91 -35.58 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.625 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -60.12 -43.35 95.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.967 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.525 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 1.1 m-20 -60.37 -37.0 79.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.82 -53.53 17.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -62.07 -46.4 89.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.064 -176.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 63.5 pttt -59.8 -19.24 49.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.785 0.326 . . . . 0.0 111.285 -176.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' HD13 ' A' ' 59' ' ' LEU . 16.6 m -99.13 -41.75 7.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.341 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -85.09 -31.53 23.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 47.7 mt-10 -60.3 -50.86 83.92 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 26.2 Cg_endo -64.2 -14.2 42.39 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.852 1.702 . . . . 0.0 112.51 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 55' ' ' THR . 6.9 mp -84.88 -50.75 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.713 0.292 . . . . 0.0 110.326 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 73' ' ' LEU . 8.7 p -70.12 -16.06 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.08 62.38 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -75.04 -4.94 41.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.056 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -114.24 22.41 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -105.88 -5.54 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.587 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -133.89 11.85 3.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -170.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.616 HG21 ' HG ' ' A' ' 96' ' ' LEU . 37.2 mt -92.7 -90.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.048 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.48 -146.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.357 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.88 52.91 2.5 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -92.94 112.97 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.447 0.642 . . . . 0.0 110.902 -176.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 49.2 mt-10 -96.62 148.49 22.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.607 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.36 151.95 50.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 111.256 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 21.2 mtpp -144.26 100.03 3.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 60' ' ' SER . 85.4 mt -80.83 99.72 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.72 108.82 17.62 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 -174.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -114.27 120.03 39.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.092 0.472 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.7 m -69.2 -58.44 4.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.009 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 179.07 -48.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.03 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -95.79 -19.22 19.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.182 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -146.71 158.03 43.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.864 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.87 136.64 54.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.572 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -104.98 112.25 25.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 40.4 tt0 -91.63 82.48 5.29 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 26.0 t-20 -83.03 106.83 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.57 109.69 29.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 111.086 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 92.3 m -95.81 102.77 14.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.13 0.491 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.721 ' HA ' HG12 ' A' ' 69' ' ' VAL . 64.9 mt -94.93 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.581 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.2 t70 -74.6 122.12 22.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.095 176.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.67 ' HA ' HG13 ' A' ' 91' ' ' VAL . 58.8 mtt -98.82 16.17 23.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.495 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.545 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.7 mt-10 -98.89 -19.89 17.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 0.0 110.251 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -131.19 26.87 4.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.181 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -57.16 139.8 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.444 0.64 . . . . 0.0 112.702 -178.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -110.56 98.98 8.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.137 171.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.563 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 88.1 m-85 -76.53 -1.42 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.424 . . . . 0.0 110.606 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -70.0 -51.41 32.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.841 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -70.74 -43.61 68.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.143 0.497 . . . . 0.0 110.071 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 66' ' ' ILE . 24.1 mt -68.36 -9.19 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.35 -44.28 92.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.34 -27.18 10.19 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.593 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.6 mt -84.17 -11.24 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.4 p -65.03 98.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.265 0.555 . . . . 0.0 111.845 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.4 7.28 82.12 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.527 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.2 mt -81.13 62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -87.44 71.66 9.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.415 0.626 . . . . 0.0 111.697 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 121' ' ' VAL . 58.4 t -88.18 -52.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 162.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 108' ' ' ASP . 2.4 p -144.29 100.4 3.54 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.607 -1.633 . . . . 0.0 107.432 162.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -51.04 -34.57 30.33 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.23 -26.11 67.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.251 -178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 105' ' ' SER . 0.8 OUTLIER -63.4 -44.66 94.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.305 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.76 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mttm -72.63 -19.14 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.318 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -89.38 -52.51 5.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.521 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 152.14 119.72 0.83 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.083 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.2 mm -83.45 124.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 111.397 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -127.2 -176.55 3.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.483 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.492 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 2.6 tpt -65.61 -48.6 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.472 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.2 67.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.404 ' HG3' ' OD2' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -58.63 -66.8 0.44 Allowed 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.659 176.009 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.519 ' O ' ' HB2' ' A' ' 122' ' ' MET . 6.2 ttm -54.38 -34.92 62.19 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 5.6 mm-40 -59.99 -64.01 1.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.022 175.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.19 -36.16 81.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.489 0.662 . . . . 0.0 111.145 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.429 ' O ' HG11 ' A' ' 104' ' ' VAL . 6.8 t -75.13 -47.75 34.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 114.474 -1.239 . . . . 0.0 112.025 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 118' ' ' MET . 0.0 OUTLIER -71.04 -33.76 70.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.135 -0.353 . . . . 0.0 111.235 -178.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 119' ' ' GLU . 30.3 mtpp -71.12 -27.69 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 0.0 110.165 175.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.1 -24.62 61.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.59 -6.19 58.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.81 29.39 54.85 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.182 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.464 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 17.4 m-85 -83.67 146.57 28.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.52 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -99.76 118.47 36.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.512 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.46 96.63 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.765 0.793 . . . . 0.0 111.353 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.02 104.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.495 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -84.26 113.74 21.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.371 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 7' ' ' SER . 3.2 pp -98.35 6.51 47.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.367 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 133' ' ' GLU . 0.0 OUTLIER -70.25 -46.3 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 48.12 60.89 3.29 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.054 0.846 . . . . 0.0 110.772 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 130.19 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.724 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.88 162.99 25.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.346 -170.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -69.64 81.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.895 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.02 137.89 51.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.911 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 13.2 p80 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.856 -1.068 . . . . 0.0 109.515 -178.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.907 0.384 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.51 -22.92 32.75 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -169.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.08 151.1 21.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.897 -1.152 . . . . 0.0 109.648 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -139.36 -46.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.224 0.535 . . . . 0.0 110.339 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -119.3 118.68 31.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.017 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.0 mm-40 -98.32 133.65 42.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.732 -169.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.2 m -109.48 117.83 35.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 32.6 mtpt -113.33 110.42 20.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.56 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' A' ' 22' ' ' THR . 21.2 ttmm -106.87 97.76 7.51 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.775 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 6.4 p90 -94.57 142.35 27.54 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 33.0 t -143.05 123.11 13.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.154 0.502 . . . . 0.0 110.598 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.92 126.12 43.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.447 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.401 HD22 ' HG2' ' A' ' 18' ' ' GLU . 20.8 t-20 -76.52 106.35 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.321 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -83.49 -156.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.78 -58.32 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.878 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.14 7.27 4.39 Favored Glycine 0 C--N 1.311 -0.818 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.677 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 39' ' ' ILE . 39.0 m -136.58 117.92 14.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 42.6 mt-10 -87.19 117.59 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 175.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 11' ' ' SER . 62.1 mt -100.83 108.18 22.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.908 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -113.27 109.45 18.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.751 175.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.686 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 54.5 mt -108.18 111.17 34.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.805 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.0 m -94.77 96.25 9.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.708 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -104.0 133.1 49.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.693 0.758 . . . . 0.0 111.058 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 74.9 t -104.48 113.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.478 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 45.1 p90 -112.78 154.56 26.03 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.438 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -133.05 90.49 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 -117.16 4.35 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.168 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -11.85 20.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.369 . . . . 0.0 110.683 175.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.3 tmtm? -94.25 112.62 24.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.032 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 11.3 t -79.65 119.11 28.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' HD2' ' A' ' 29' ' ' LYS . 95.9 mt -100.73 -17.55 16.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -169.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 51.6 tttp -153.35 141.64 20.57 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.56 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.623 HE22 HD11 ' A' ' 102' ' ' ILE . 50.7 tt0 -131.08 148.12 52.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.567 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 50.7 m -140.3 99.02 3.56 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.045 0.45 . . . . 0.0 110.069 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HG12 ' A' ' 21' ' ' ILE . 46.5 m -97.49 97.56 9.19 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.484 0.659 . . . . 0.0 109.735 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -99.83 112.74 24.98 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.548 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 29.9 p -103.35 122.79 45.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.101 0.477 . . . . 0.0 111.367 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.538 ' HG3' ' CD1' ' A' ' 79' ' ' TYR . 4.1 ttmp? -94.22 99.53 11.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 17' ' ' THR . 4.6 mp -96.75 117.54 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.465 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.38 143.92 46.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.432 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 7.0 m-30 -62.3 -24.74 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.507 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.79 61.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -88.0 -23.17 23.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.939 0.399 . . . . 0.0 110.551 -177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' A' ' 55' ' ' THR . 3.4 tt -98.11 -27.49 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.784 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.78 30.64 14.53 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.369 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.6 39.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.929 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.7 p -83.73 -29.4 27.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.605 0.716 . . . . 0.0 110.222 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 50' ' ' GLU . 14.4 t -156.12 -174.12 4.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.136 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -64.07 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.644 ' H ' HG23 ' A' ' 48' ' ' THR . 30.7 tt0 -60.28 -57.48 12.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.568 0.223 . . . . 0.0 110.503 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.51 -36.29 75.8 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.076 0.465 . . . . 0.0 110.329 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.79 76.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.315 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.62 -53.82 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.688 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' HG2' ' A' ' 50' ' ' GLU . 36.0 mtpt -49.72 -32.1 12.77 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.585 ' HB ' HD11 ' A' ' 44' ' ' ILE . 4.4 m -99.49 -42.97 6.71 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 79.7 mt -89.08 -15.03 34.95 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -171.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 31.9 mm-40 -62.56 -55.56 37.98 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 122.204 -0.31 . . . . 0.0 110.726 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 53.0 Cg_exo -54.92 -28.02 56.85 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 122.079 1.853 . . . . 0.0 112.321 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 28.7 tp -66.14 -58.34 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.596 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p -78.2 -17.37 56.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.502 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.2 2.58 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 99' ' ' ILE . 61.7 mttp -78.6 -25.76 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.57 0.224 . . . . 0.0 110.712 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' OH ' ' HA ' ' A' ' 100' ' ' SER . 80.1 m-85 -96.87 22.18 8.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.49 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.69 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -174.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t30 47.11 64.14 1.68 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.593 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 62' ' ' LYS . 28.9 mt -85.7 -28.6 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.084 0.945 . . . . 0.0 108.635 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -165.62 -146.7 0.09 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 113.985 -1.462 . . . . 0.0 107.998 -175.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.27 45.85 2.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.402 172.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 86' ' ' ILE . 4.3 m -104.82 127.11 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 121.014 0.435 . . . . 0.0 110.967 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.45 110.27 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.474 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 93.92 9.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 174.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 19.2 ttmt -111.41 96.29 6.02 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.342 -169.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 42.4 mt -84.82 106.55 16.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.506 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -101.8 117.61 35.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.153 0.502 . . . . 0.0 110.147 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -84.72 109.91 18.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -82.37 -66.27 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 t70 173.33 -58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.072 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 m -93.87 -16.01 24.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.357 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CD1' ' HG3' ' A' ' 38' ' ' LYS . 48.1 p90 -150.29 170.89 17.93 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.22 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.27 130.59 56.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.645 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.81 108.4 20.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.642 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.5 tt0 -91.53 86.74 6.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.29 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -80.36 95.54 6.41 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HG2' ' A' ' 82' ' ' GLU . 46.7 t -98.52 108.21 21.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.944 0.402 . . . . 0.0 111.023 -175.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 10.4 m -92.04 98.61 11.66 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.873 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.5 mt -93.41 112.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' HB3' HG13 ' A' ' 91' ' ' VAL . 17.6 t70 -68.32 162.85 24.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.469 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.419 ' HB2' ' C ' ' A' ' 31' ' ' LEU . 42.3 mtt -136.73 18.7 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.406 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -115.43 -40.62 3.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -114.28 10.59 17.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.861 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -79.03 179.38 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.077 0.941 . . . . 0.0 113.433 -176.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.59 104.65 5.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.562 170.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -64.79 -25.81 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.555 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.08 -52.81 63.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.128 0.49 . . . . 0.0 109.991 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.84 -27.15 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.274 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 99' ' ' ILE . 72.7 mt -83.17 -12.41 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.67 -43.99 62.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.526 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.69 16.18 51.86 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 62' ' ' LYS . 47.2 mm -116.07 -54.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.709 0.29 . . . . 0.0 111.385 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.578 ' HA ' ' OH ' ' A' ' 63' ' ' TYR . 35.1 m -65.37 -16.23 63.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.815 -171.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.6 -13.27 53.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.717 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.623 HD11 HE22 ' A' ' 33' ' ' GLN . 56.7 mt -70.83 90.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.461 HD22 ' C ' ' A' ' 102' ' ' ILE . 0.9 OUTLIER -126.19 49.64 1.97 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.524 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.63 -15.06 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.897 0.856 . . . . 0.0 108.868 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -157.79 -176.43 5.93 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.273 -1.33 . . . . 0.0 107.76 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.39 -22.48 17.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.28 0.562 . . . . 0.0 109.96 171.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -89.33 -13.39 38.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.494 -174.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -57.56 -53.6 56.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.656 0.265 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.23 -45.39 48.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.694 0.283 . . . . 0.0 111.254 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -174.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.13 -20.88 33.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.084 0.469 . . . . 0.0 110.977 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.77 136.88 9.37 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.167 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mm -81.71 120.21 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.232 0.539 . . . . 0.0 111.409 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.62 168.66 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.248 175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.9 tpt -69.65 -40.53 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.04 69.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -58.99 -66.0 0.58 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.474 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 20.6 mmt -44.9 -47.08 11.21 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -56.34 -57.24 13.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.536 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.79 -27.66 62.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.208 0.528 . . . . 0.0 111.662 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.9 t -81.8 -42.64 19.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.385 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.553 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -69.31 -37.38 77.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.952 0.405 . . . . 0.0 110.328 176.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -70.54 -27.78 64.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.265 176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.456 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.03 1.81 54.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.53 46.01 87.1 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.333 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.553 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 29.0 m-85 -78.0 158.79 29.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.909 0.385 . . . . 0.0 110.393 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -108.48 106.06 15.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.48 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 10' ' ' PHE . 13.8 mt-10 -91.23 121.26 32.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.402 0.62 . . . . 0.0 112.055 -172.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.29 110.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.622 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 131' ' ' LYS . 36.4 mtpt -67.05 113.02 4.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.482 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 32.6 tp -80.76 76.54 7.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.363 0.601 . . . . 0.0 109.845 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.875 ' HB2' ' HB2' ' A' ' 136' ' ' HIS . 26.7 mt-10 -106.47 153.51 22.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.246 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -66.24 -37.25 85.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 174.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -90.72 19.73 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.875 ' HB2' ' HB2' ' A' ' 133' ' ' GLU . 4.3 t60 -106.32 -46.06 4.13 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -89.88 118.42 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -133.2 161.44 34.44 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.771 0.319 . . . . 0.0 111.165 -172.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.3 t60 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.917 171.537 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttp . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.841 0.353 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.64 48.52 0.96 Allowed Glycine 0 CA--C 1.505 -0.586 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.38 0.9 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.33 -0.935 . . . . 0.0 111.158 -167.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -117.22 110.94 18.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.324 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.69 79.75 0.23 Allowed 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.185 0.928 . . . . 0.0 110.023 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 45.7 mt-10 -97.72 137.45 36.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.493 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 t -97.72 112.14 24.15 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.69 ' HD2' ' HB3' ' A' ' 131' ' ' LYS . 9.9 tptm -113.64 95.18 5.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.761 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.3 ttmm -95.63 123.88 39.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.731 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 3.1 p90 -106.69 139.86 40.46 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 29.7 t -136.57 131.23 33.51 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.81 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.95 128.86 33.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.751 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 1.6 m-20 -104.16 99.13 8.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -175.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 pp -138.15 140.12 39.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 111.724 -174.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.2 t30 59.53 27.0 16.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.375 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' HA3' ' HG ' ' A' ' 43' ' ' SER . . . 74.24 13.85 81.06 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.19 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 HG13 ' A' ' 39' ' ' ILE . 11.3 m -118.39 98.62 6.36 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' A' ' 38' ' ' LYS . 5.9 mt-10 -83.46 96.24 8.51 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 63.7 mt -91.68 125.23 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 -172.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -135.92 102.95 5.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.416 0.627 . . . . 0.0 110.501 174.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.731 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 75.9 mt -93.56 114.95 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.813 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.0 m -103.07 100.62 10.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.901 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 17.6 p90 -106.46 127.94 53.68 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.411 0.624 . . . . 0.0 111.051 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 30.0 t -94.03 118.62 40.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.294 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -127.89 164.58 21.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.269 0.557 . . . . 0.0 111.72 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE3' HD12 ' A' ' 31' ' ' LEU . 17.0 mtmt -142.55 99.6 3.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.412 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.58 -141.41 20.36 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -86.92 5.85 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 110.175 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD2' HD23 ' A' ' 31' ' ' LEU . 5.3 tmtt? -108.46 112.23 24.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.519 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.92 127.03 39.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD23 ' HD2' ' A' ' 29' ' ' LYS . 84.5 mt -109.85 -33.42 6.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.763 0.316 . . . . 0.0 111.455 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 38.4 mmtm -131.48 147.7 52.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.77 0.319 . . . . 0.0 110.969 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.798 HE22 HD11 ' A' ' 102' ' ' ILE . 64.7 tt0 -136.12 139.54 43.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 m -123.81 111.51 16.19 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 168.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 m -97.49 99.61 11.02 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 8.0 tt0 -115.02 108.44 16.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.367 -172.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.725 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 19.4 p -111.41 136.98 49.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.858 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 77.5 tttt -107.86 99.66 9.1 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 HG23 ' A' ' 17' ' ' THR . 4.8 mp -96.03 120.61 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 -175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -73.45 143.57 46.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.015 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -58.81 -32.79 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 111.398 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -29.98 69.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.261 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.437 ' HG ' ' HA3' ' A' ' 16' ' ' GLY . 38.2 m -79.09 -43.78 23.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.176 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.53 HG23 ' H ' ' A' ' 46' ' ' ALA . 7.2 tt -73.35 -25.71 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.78 24.08 58.8 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.723 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -75.4 147.08 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -84.36 -49.38 8.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.448 ' H ' ' HB3' ' A' ' 51' ' ' ASP . 36.7 p -138.61 -178.44 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.98 177.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.63 -31.89 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.57 -43.86 68.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.04 0.448 . . . . 0.0 110.064 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.484 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 34.0 t70 -64.49 -30.47 71.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.357 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.67 93.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.22 79.48 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.61 -12.82 36.51 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.408 ' HB ' HD11 ' A' ' 44' ' ' ILE . 24.6 m -98.75 -43.79 6.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.16 -37.51 26.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 58' ' ' PRO . 21.3 mt-10 -52.49 -53.8 49.49 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 57' ' ' GLU . 85.8 Cg_exo -44.77 -31.85 5.51 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.136 2.557 . . . . 0.0 113.681 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.3 -59.97 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.691 0.281 . . . . 0.0 110.948 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 m -65.93 -27.49 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.964 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.15 -3.6 24.22 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.526 ' HB3' HD13 ' A' ' 99' ' ' ILE . 64.1 mttp -75.28 -14.7 60.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.515 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.5 m-85 -84.26 -29.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.401 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -75.98 34.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -167.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -128.45 -12.51 4.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.2 171.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.767 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.3 mt -89.54 -168.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.488 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.767 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -98.26 129.61 44.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.482 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . 61.39 25.36 64.85 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 113.389 173.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.1 m -105.41 136.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.082 0.468 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -134.28 103.35 5.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.286 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 3.0 pm0 -85.26 98.48 10.53 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.761 0.791 . . . . 0.0 110.77 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -100.11 102.32 13.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.094 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 92.9 mt -95.11 105.5 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.846 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -101.88 109.53 21.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.16 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 98.7 m-85 -103.88 138.58 40.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.551 -176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -119.02 -159.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 170.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.56 -6.93 24.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.581 0.705 . . . . 0.0 109.562 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 m -112.77 -39.67 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.66 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -149.81 168.73 22.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.126 0.489 . . . . 0.0 111.198 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.93 44.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.04 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 60.8 tt0 -100.77 115.03 29.34 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.035 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.725 ' HB3' ' OG1' ' A' ' 37' ' ' THR . 37.0 tt0 -94.43 97.5 10.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -105.85 97.86 7.63 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 82' ' ' GLU . 57.4 t -108.15 133.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.751 -173.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 5.5 m -100.04 142.18 31.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 33' ' ' GLN . 69.4 mt -138.04 126.21 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 21.8 t70 -94.66 106.67 18.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.381 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.554 ' HA ' HG12 ' A' ' 91' ' ' VAL . 29.2 mtt -79.8 17.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.387 -176.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -104.34 -19.87 13.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -140.25 -6.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 88' ' ' MET . 10.4 p -58.75 139.57 18.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.31 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -101.38 114.96 29.43 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 97.9 m-85 -75.21 -15.29 60.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.478 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 1.3 tmmt? -74.6 -27.83 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.406 174.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.68 -27.79 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.299 0.571 . . . . 0.0 109.752 172.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 21.4 mt -76.11 1.21 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 174.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 6.3 tp60 -41.09 -44.88 2.58 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.728 0.811 . . . . 0.0 112.167 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.53 19.25 7.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.75 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 62' ' ' LYS . 13.2 mt -130.59 11.07 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.768 0.794 . . . . 0.0 109.838 -175.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.3 p -74.51 102.55 4.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.856 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.26 -24.14 60.8 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 172.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.798 HD11 HE22 ' A' ' 33' ' ' GLN . 9.0 mm -85.44 105.74 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -140.93 98.99 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.969 0.414 . . . . 0.0 110.329 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -143.69 -45.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.982 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -138.19 174.38 10.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.845 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 110' ' ' LYS . . . -95.43 5.19 52.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.93 0.395 . . . . 0.0 111.074 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -105.12 -8.64 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.328 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.678 ' HA ' ' HG2' ' A' ' 117' ' ' GLN . 1.0 OUTLIER -100.2 -88.02 0.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.552 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.588 ' HB2' ' HB ' ' A' ' 102' ' ' ILE . . . -67.46 -32.98 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 111.614 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 106' ' ' ALA . 51.4 tptt -70.71 -17.01 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.515 -173.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.66 18.69 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.463 . . . . 0.0 111.431 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.95 121.99 3.96 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.534 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.2 110.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.496 0.665 . . . . 0.0 111.4 -177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.7 ' HB ' ' OE1' ' A' ' 117' ' ' GLN . 43.2 m -107.89 149.19 28.6 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 172.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 12.6 tpt -62.17 -30.69 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.578 0.228 . . . . 0.0 111.406 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -53.04 61.09 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.856 0.36 . . . . 0.0 110.115 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.7 ' OE1' ' HB ' ' A' ' 114' ' ' THR . 14.3 mp0 -53.82 -66.91 0.31 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.04 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -54.73 2.4 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.606 0.762 . . . . 0.0 112.904 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -57.58 -57.62 11.92 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.76 -31.99 72.28 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.346 0.593 . . . . 0.0 110.993 -176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 t -75.56 -42.28 41.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.404 -175.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.518 ' HE3' ' HA ' ' A' ' 122' ' ' MET . 0.1 OUTLIER -62.89 -37.76 88.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.227 0.537 . . . . 0.0 110.234 175.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -74.12 -32.89 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.448 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.227 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.17 -10.75 56.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.265 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.24 43.02 26.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.852 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.95 163.74 21.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -90.63 130.22 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.39 122.26 28.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.81 72.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.69 ' HB3' ' HD2' ' A' ' 8' ' ' LYS . 2.4 pptp? -78.34 119.41 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.34 101.91 8.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.137 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.87 88.16 0.73 Allowed 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -31.23 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 -176.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -90.65 120.86 32.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 173.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -80.57 39.79 0.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.119 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 28.8 m170 61.98 76.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.449 0.643 . . . . 0.0 110.22 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -118.36 116.3 26.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.649 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.364 177.427 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.105 0.478 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.99 49.57 0.84 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -151.72 170.7 19.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.419 -166.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -129.54 147.51 51.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -83.77 100.31 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -97.39 125.02 41.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.371 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -103.37 133.62 48.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -125.44 111.67 15.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.978 0.418 . . . . 0.0 110.604 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.533 ' HB2' HG23 ' A' ' 22' ' ' THR . 22.9 ttmm -100.19 117.85 35.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.506 178.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.5 p90 -116.73 152.24 34.72 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.9 t -146.94 118.67 8.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.172 0.51 . . . . 0.0 110.62 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.05 146.06 50.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.02 120.27 39.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.574 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 16' ' ' GLY . 3.8 pp -145.53 142.44 29.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.2 t30 69.92 -12.58 0.47 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 111.542 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 14' ' ' LEU . . . 115.53 -3.12 21.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -174.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 m -107.56 138.79 43.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.446 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 4.8 mt-10 -94.27 106.65 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 11' ' ' SER . 53.8 mt -90.86 104.45 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.493 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -109.66 95.02 5.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 178.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 68.6 mt -93.85 117.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.912 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 9' ' ' LYS . 5.2 m -106.31 90.24 3.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.467 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -99.51 132.21 45.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.647 . . . . 0.0 111.352 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -98.91 118.31 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.236 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.5 p90 -109.61 134.91 51.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HB3' HD12 ' A' ' 31' ' ' LEU . 77.2 tttt -114.53 104.56 12.14 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.74 -116.11 4.18 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.161 -171.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.41 -8.92 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.02 0.438 . . . . 0.0 111.09 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 34.9 ttmt -111.46 135.34 52.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.716 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 4.4 t -78.9 118.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 78.8 mt -110.83 -3.6 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 33.6 mttp -155.05 131.98 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.753 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 59.1 tt0 -124.26 103.81 8.45 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.792 0.33 . . . . 0.0 110.837 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -85.6 91.25 8.21 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 t -97.26 108.64 21.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.736 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 38.8 tt0 -122.38 116.0 23.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.58 -176.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.619 ' OG1' ' HB3' ' A' ' 82' ' ' GLU . 47.5 p -97.73 119.43 36.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.329 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 84.5 tttt -83.71 97.4 9.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -100.77 103.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.004 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -65.15 147.14 54.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -60.91 -23.18 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.91 60.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.83 0.347 . . . . 0.0 111.276 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.3 t -87.14 -14.85 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.925 0.393 . . . . 0.0 110.604 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' ' 55' ' ' THR . 5.4 tt -111.23 -26.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.764 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.62 33.72 11.08 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.58 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.46 120.23 39.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -75.71 -31.61 59.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.214 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -129.67 156.11 44.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.427 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -64.33 -24.67 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.183 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -46.23 89.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.764 172.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 58.3 m-20 -61.34 -38.02 85.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.86 -51.61 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.781 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.7 -43.03 99.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.136 0.493 . . . . 0.0 110.818 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 21.1 ttpt -57.79 -22.22 46.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.984 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 44' ' ' ILE . 13.0 m -98.87 -42.88 6.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.008 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 77.5 mt -90.51 -23.93 20.79 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -168.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 39.0 mt-10 -60.7 -48.45 93.13 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.377 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 40.8 Cg_endo -69.77 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.922 1.748 . . . . 0.0 112.404 173.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 21.3 tp -84.23 -44.76 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 77.2 p -76.66 -15.45 59.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.435 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.13 2.26 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.273 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HB3' HG23 ' A' ' 99' ' ' ILE . 93.5 mttt -77.23 -27.31 53.33 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.349 -0.22 . . . . 0.0 110.59 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' O ' HG13 ' A' ' 66' ' ' ILE . 97.5 m-85 -84.66 -54.34 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.918 -176.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 56.81 -86.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.07 26.01 5.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -168.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 99' ' ' ILE . 46.0 mt -66.55 94.27 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.091 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.15 -86.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.118 0.567 . . . . 0.0 112.33 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.8 44.01 1.0 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 86' ' ' ILE . 12.8 m -82.1 110.86 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 11.8 mm-40 -93.8 108.03 19.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.53 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 7.0 pt-20 -94.84 96.48 9.37 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.377 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -116.84 115.55 25.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.124 0.487 . . . . 0.0 111.484 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 82' ' ' GLU . 63.0 mt -99.99 106.85 18.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.047 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 17.0 p -101.7 109.76 21.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.485 0.66 . . . . 0.0 110.982 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 42.2 m-85 -94.36 108.49 20.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.573 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -81.29 -76.84 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.068 0.461 . . . . 0.0 111.45 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -145.59 -61.96 0.34 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.096 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -119.9 4.35 10.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.16 0.505 . . . . 0.0 111.053 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -147.78 146.6 29.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.402 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.09 54.47 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.203 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 27.0 mt-30 -101.15 110.26 22.26 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.736 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.4 tt0 -83.8 86.29 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.443 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -90.2 96.88 10.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -176.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 82' ' ' GLU . 48.6 t -102.85 118.8 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.997 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 19.3 m -102.14 99.53 9.67 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.663 ' HA ' HG12 ' A' ' 69' ' ' VAL . 61.1 mt -93.53 113.2 27.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.54 108.27 6.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 76.9 mtp -91.72 3.19 55.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -69.93 -35.19 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -133.55 37.36 3.31 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.911 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.583 HG13 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -56.02 130.01 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.946 176.031 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.96 100.59 13.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 75.3 m-85 -73.88 1.26 11.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.829 -175.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -89.88 -54.12 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.821 0.343 . . . . 0.0 110.165 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.88 -31.33 66.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.945 0.402 . . . . 0.0 110.596 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 102' ' ' ILE . 8.8 tt -55.53 -30.99 61.71 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.513 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 93' ' ' PHE . 81.7 mm-40 -61.9 -37.95 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.212 -177.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.47 -5.45 60.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.767 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 62' ' ' LYS . 92.0 mt -100.52 -80.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 m -81.79 -42.99 18.95 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.41 -48.8 1.53 Allowed Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 113.657 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.568 HD13 HD21 ' A' ' 96' ' ' LEU . 3.9 mp 61.71 78.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.998 0.904 . . . . 0.0 109.383 -174.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -87.56 26.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.461 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.7 t -85.64 -36.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.6 t -155.5 100.67 2.13 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.256 -1.338 . . . . 0.0 108.0 171.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -60.39 -30.09 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.385 -175.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.51 -29.84 62.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.505 ' OD1' ' HG2' ' A' ' 117' ' ' GLN . 21.6 t0 -64.52 -48.64 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.44 -18.87 65.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 61.1 mttm -97.35 -11.2 24.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.47 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.79 -56.44 2.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.365 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 150.05 105.41 0.33 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.642 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.67 104.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.193 0.52 . . . . 0.0 111.188 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.4 p -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.939 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -70.05 -37.01 75.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.919 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.09 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.505 ' HG2' ' OD1' ' A' ' 108' ' ' ASP . 0.1 OUTLIER -66.34 -61.87 1.77 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.097 174.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 13.4 mmt -46.3 -39.9 10.83 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.36 -60.58 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.955 0.407 . . . . 0.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.05 -32.45 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 111.577 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 3.6 t -71.51 -45.56 67.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.621 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -67.47 -36.38 81.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.824 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -67.84 -30.79 70.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.753 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.08 -31.81 63.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.007 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.21 -12.98 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.159 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.33 27.91 34.96 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.061 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.621 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.0 m-85 -83.78 143.88 29.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 0.0 110.381 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -107.82 128.87 54.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.31 0.576 . . . . 0.0 110.785 -177.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -91.14 127.5 36.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.424 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -84.24 -33.2 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.788 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 28.0 ttmt 72.67 7.85 5.57 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.636 171.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.459 HD21 ' HE2' ' A' ' 9' ' ' LYS . 11.2 mt 63.59 35.12 11.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 133' ' ' GLU . 7.6 pt-20 -71.48 109.41 5.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.713 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -81.52 99.11 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.42 112.64 25.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -171.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -98.36 108.96 21.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -79.29 111.13 15.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -81.54 -29.15 33.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.202 178.197 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.72 129.06 1.08 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.413 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -92.22 21.7 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.023 0.44 . . . . 0.0 110.296 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.01 -26.15 63.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.402 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' HG2' ' HE2' ' A' ' 26' ' ' LYS . 43.7 mt-10 -81.73 109.46 16.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.551 ' OE2' ' HE3' ' A' ' 8' ' ' LYS . 34.4 tt0 -97.56 139.1 33.97 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.141 -173.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 m -101.6 114.16 27.95 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.936 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HE3' ' OE2' ' A' ' 6' ' ' GLU . 19.5 mmtp -112.78 94.44 4.91 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.394 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 22.6 ttmm -88.83 144.3 26.32 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 8.6 p90 -131.66 143.06 50.02 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 168.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.8 p -120.77 106.2 11.46 Favored 'General case' 0 C--N 1.308 -1.215 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.799 -175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.03 110.98 22.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.977 0.418 . . . . 0.0 110.593 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -94.05 89.45 6.04 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -110.38 105.23 14.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.491 0.663 . . . . 0.0 111.349 -177.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.5 57.05 6.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.38 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' ' 40' ' ' GLN . . . 79.8 -15.28 15.42 Favored Glycine 0 CA--C 1.517 0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.856 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 14' ' ' LEU . 20.7 m -93.55 105.59 17.63 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 122.358 -0.495 . . . . 0.0 110.363 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 8.6 mt-10 -89.76 96.04 10.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.543 HG12 HG23 ' A' ' 37' ' ' THR . 40.1 mt -91.25 103.63 14.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.33 0.586 . . . . 0.0 109.793 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -108.68 99.58 8.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.048 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.685 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 66.5 mt -98.52 120.22 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.093 0.473 . . . . 0.0 110.47 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 34' ' ' SER . 7.0 m -98.73 103.73 15.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.318 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.657 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 41.4 t -96.15 101.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 169.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 34.9 p90 -114.46 155.6 26.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.843 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 39.6 ttmt -133.87 108.3 8.36 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.768 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.56 -118.52 4.68 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -171.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.31 -8.18 13.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.103 0.452 . . . . 0.0 111.82 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' A' ' 31' ' ' LEU . 22.9 ttmt -99.51 133.7 43.46 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.264 177.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 24.3 t -79.75 101.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.7 mt -80.49 -26.01 38.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.609 -171.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 68.7 mttm -136.47 117.06 13.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.632 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -108.12 102.06 11.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.627 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 53.2 m -85.29 102.67 13.56 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.563 ' HA ' HG12 ' A' ' 21' ' ' ILE . 22.8 t -97.56 92.77 6.07 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.77 96.33 7.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.783 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.543 HG23 HG12 ' A' ' 19' ' ' ILE . 87.8 m -94.54 107.7 19.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.146 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 81' ' ' GLN . 34.9 ttmt -92.32 103.01 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.944 0.402 . . . . 0.0 110.528 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -100.4 124.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 16' ' ' GLY . 25.7 mm-40 -73.07 153.15 40.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 175.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -59.59 -30.66 68.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.297 . . . . 0.0 110.95 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 -25.01 63.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.425 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -83.09 -38.78 22.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.946 0.403 . . . . 0.0 110.78 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.1 tt -85.96 -27.97 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.02 46.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.163 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.571 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -90.87 128.52 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.605 0.24 . . . . 0.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 m -69.12 -44.47 72.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -132.97 -179.34 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.78 -34.11 73.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.5 -49.86 75.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.549 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.85 -36.79 85.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.691 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.08 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -61.92 -38.67 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.947 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -58.48 -25.5 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.844 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.7 m -94.02 -41.38 9.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.715 0.293 . . . . 0.0 111.284 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -82.19 -37.31 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -171.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 29.3 mt-10 -56.84 -53.18 67.63 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.765 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 38.3 Cg_endo -67.62 -16.41 46.76 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.742 1.628 . . . . 0.0 112.463 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.39 -41.74 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.5 m -63.46 -28.25 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.32 0.581 . . . . 0.0 110.016 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.47 -10.45 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.542 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -72.85 -23.83 60.8 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.036 0.446 . . . . 0.0 109.81 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.715 ' O ' HG13 ' A' ' 66' ' ' ILE . 87.4 m-85 -79.65 -57.35 3.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 56.4 tttm 59.07 -93.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.127 174.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' OD1' ' HG2' ' A' ' 64' ' ' LYS . 21.9 m120 -139.7 39.09 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.344 0.127 . . . . 0.0 111.344 -175.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.715 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.4 mt -57.79 -40.04 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.571 0.7 . . . . 0.0 110.363 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 91' ' ' VAL . . . -168.49 -147.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.426 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.09 43.41 2.23 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.058 171.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 85' ' ' THR . 6.1 m -82.48 99.05 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.926 0.869 . . . . 0.0 110.564 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 9.6 tp10 -100.1 108.01 20.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.106 -175.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.85 108.04 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.244 0.545 . . . . 0.0 110.891 -178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 65.5 tttm -108.65 103.52 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.074 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -81.12 115.42 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.1 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -107.7 108.99 20.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 67.8 m-85 -97.57 102.23 13.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.9 m -88.45 -40.82 13.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.746 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -174.75 -79.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.962 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 78' ' ' THR . 16.3 m -115.81 19.67 15.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.414 1.102 . . . . 0.0 109.434 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.13 156.56 37.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.629 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.54 124.65 36.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.135 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.642 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 27.0 tt0 -102.44 120.14 40.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.196 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -83.63 94.6 8.13 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -78.56 91.5 4.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.25 130.61 44.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.964 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 4.1 m -112.59 102.97 11.02 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -99.8 109.44 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.767 0.318 . . . . 0.0 110.75 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.9 t70 -86.11 111.67 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.446 ' HA ' HG22 ' A' ' 91' ' ' VAL . 24.7 mmt -83.17 3.92 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.221 -171.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.66 -11.22 40.47 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.922 0.391 . . . . 0.0 110.477 176.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -130.63 -0.33 4.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.573 -176.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -57.63 129.17 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -174.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.82 107.39 19.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.296 -0.865 . . . . 0.0 108.976 168.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 96.4 m-85 -72.08 -11.91 60.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.389 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.1 -42.54 69.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.041 0.448 . . . . 0.0 110.045 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 -32.22 43.21 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.192 0.52 . . . . 0.0 110.433 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -68.72 -17.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.76 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -57.22 -31.31 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.55 -47.48 5.12 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.919 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 66' ' ' ILE . 10.1 pt -116.26 95.84 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.196 0.522 . . . . 0.0 110.776 178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 13.1 m -102.17 -35.21 8.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.082 0.468 . . . . 0.0 110.777 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.96 -5.63 78.49 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.39 104.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -98.26 29.55 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.115 0.483 . . . . 0.0 110.917 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 121' ' ' VAL . 34.6 t -102.84 -81.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.922 177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.462 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 18.9 m -129.76 128.21 41.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.14 -24.65 59.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.47 -32.69 71.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.856 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.462 ' OD2' ' HB2' ' A' ' 105' ' ' SER . 14.0 m-20 -73.08 -34.29 66.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.63 72.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.065 0.46 . . . . 0.0 110.463 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.6 4.36 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 111' ' ' LYS . 34.6 ttmt -101.94 -39.37 7.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.834 -176.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.04 108.35 2.41 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -75.04 112.44 12.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.471 0.653 . . . . 0.0 111.875 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 p -107.29 172.28 6.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.098 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 13.7 tpt -76.0 -31.1 58.77 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.563 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.63 85.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.763 174.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.425 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 1.5 tp60 -56.74 -64.56 0.83 Allowed 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.645 171.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.69 ' O ' ' HG2' ' A' ' 122' ' ' MET . 17.6 mmt -51.17 -46.77 62.19 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -55.05 -58.98 5.45 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.186 0.517 . . . . 0.0 111.343 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -35.12 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 0.0 111.524 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 4.0 t -76.68 -33.17 21.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.571 -174.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG2' ' O ' ' A' ' 118' ' ' MET . 30.9 mmt -66.73 -40.41 88.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.54 -30.43 71.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.903 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.91 50.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.481 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.73 -12.12 59.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.167 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 43.88 14.44 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.01 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.403 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 25.5 m-85 -80.89 151.35 28.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.765 0.317 . . . . 0.0 110.541 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -94.55 111.46 23.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 134.4 45.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.606 -177.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.553 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 90.4 t -133.37 78.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.158 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -63.97 147.04 52.98 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.178 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.86 164.16 26.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.595 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.27 152.76 32.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.567 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -83.65 40.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -79.06 -10.85 59.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.521 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -98.74 -67.64 0.84 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -99.07 94.66 6.64 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -80.18 52.0 1.49 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.269 0.557 . . . . 0.0 111.908 -173.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 67.3 t60 . . . . . 0 C--O 1.247 0.966 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.189 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.86 -63.87 0.51 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.682 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 3.5 m-20 -82.35 97.7 8.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.755 0.312 . . . . 0.0 110.595 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -118.16 127.66 53.97 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 2.2 mp0 -44.06 126.91 5.2 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.062 0.851 . . . . 0.0 112.022 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -100.79 129.84 46.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.196 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m -104.77 131.36 52.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.807 0.337 . . . . 0.0 111.689 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 60.2 tttt -139.13 127.54 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HD3' ' OG1' ' A' ' 22' ' ' THR . 36.2 ttpt -117.41 142.91 46.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.638 0.256 . . . . 0.0 110.82 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 16.0 p90 -130.12 148.62 51.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t -137.86 115.46 11.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.226 0.536 . . . . 0.0 110.428 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.75 112.95 18.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.531 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -86.98 109.31 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 pp -125.68 122.52 36.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 71.13 -39.86 0.46 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.6 0.76 . . . . 0.0 112.108 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.682 ' HA3' ' HB3' ' A' ' 43' ' ' SER . . . 158.43 -13.89 0.24 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 -176.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 HG22 HG13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -87.29 108.15 18.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.0 110.206 173.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 6.6 mt-10 -87.83 95.81 10.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.486 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.554 HG12 HG23 ' A' ' 37' ' ' THR . 63.6 mt -96.49 107.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -175.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.54 104.27 11.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.362 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 76.4 mt -100.43 113.05 34.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.559 -177.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' HD3' ' A' ' 9' ' ' LYS . 23.8 m -92.08 93.72 8.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' ' HD3' ' A' ' 8' ' ' LYS . 46.4 p90 -102.98 136.0 43.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.629 0.728 . . . . 0.0 111.002 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 94.3 t -105.29 118.11 52.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 33.2 p90 -112.04 167.87 10.05 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.682 ' HE2' ' HB3' ' A' ' 3' ' ' ASP . 70.1 tttt -143.92 93.36 2.44 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.27 -115.62 4.07 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.485 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -103.17 -6.22 22.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.024 0.412 . . . . 0.0 111.694 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HD3' HD21 ' A' ' 31' ' ' LEU . 76.0 tttt -109.84 134.13 52.39 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.813 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 25.9 t -80.48 123.9 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 168.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD21 ' HD3' ' A' ' 29' ' ' LYS . 78.4 mt -106.86 -14.02 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -150.58 139.64 21.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -128.68 105.33 8.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -94.16 96.48 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 21' ' ' ILE . 7.6 p -97.24 94.54 7.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.43 0.633 . . . . 0.0 110.47 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.76 111.63 23.54 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.113 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -109.02 113.36 26.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.218 0.532 . . . . 0.0 110.564 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 42.9 tttm -94.83 98.4 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.891 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.526 HG13 HG22 ' A' ' 17' ' ' THR . 4.0 mp -94.47 114.82 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.516 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.8 147.61 53.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HA ' HG22 ' A' ' 44' ' ' ILE . 8.7 m-30 -64.07 -20.77 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.985 179.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.48 -28.16 60.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.682 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 11.2 p -91.33 -31.24 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.6 0.238 . . . . 0.0 111.502 -177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' HB ' HG21 ' A' ' 39' ' ' ILE . 9.3 tt -81.51 -30.64 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 26.68 22.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.667 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -91.19 136.01 33.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.389 . . . . 0.0 110.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -102.96 -11.41 18.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -155.93 159.33 39.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.621 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 75' ' ' TYR . 36.7 ttpt -54.53 -56.57 17.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.623 0.249 . . . . 0.0 111.378 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -31.63 72.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.22 0.533 . . . . 0.0 110.378 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.12 -41.75 97.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.491 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.27 90.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.312 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.87 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.885 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.18 -20.58 55.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.639 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -98.85 -34.05 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.51 HD12 ' HE1' ' A' ' 75' ' ' TYR . 95.6 mt -87.14 -33.58 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -175.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.81 -52.65 65.73 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 -8.57 23.19 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.749 1.632 . . . . 0.0 112.54 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tt -90.7 -54.85 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.654 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 m -65.07 -25.16 67.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.942 0.401 . . . . 0.0 110.832 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.78 -10.09 49.73 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.591 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.84 -23.59 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.38 22.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.668 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.75 90.0 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.421 0.688 . . . . 0.0 111.791 -177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 48.23 47.05 19.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.2 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.6 mt -65.8 -48.15 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 122.044 0.926 . . . . 0.0 109.081 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . . . -151.89 -152.77 0.44 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.12 -1.4 . . . . 0.0 107.731 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.45 53.16 3.15 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.429 -1.069 . . . . 0.0 110.429 171.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 86' ' ' ILE . 17.0 m -89.38 108.05 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.432 0.634 . . . . 0.0 111.092 -173.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 8.3 mm-40 -93.83 116.02 28.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.28 177.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 115.34 30.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 0.0 110.686 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 4.5 mptp? -115.3 99.83 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.01 0.433 . . . . 0.0 111.053 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.87 98.81 9.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.681 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.7 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 78.0 p -102.86 119.79 39.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.077 0.465 . . . . 0.0 110.587 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HE1' HD12 ' A' ' 56' ' ' LEU . 44.6 m-85 -107.25 103.09 12.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.84 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -79.17 -69.77 0.55 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -161.49 -53.35 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.968 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -121.01 9.64 10.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -154.25 154.44 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.964 0.412 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.57 118.02 31.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.506 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.7 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 53.6 tt0 -98.08 100.42 11.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -86.45 92.6 8.9 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.428 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -85.9 102.88 14.12 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.15 142.02 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.056 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 19.3 m -131.56 100.16 5.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.561 HG12 HG12 ' A' ' 69' ' ' VAL . 65.0 mt -102.4 136.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.064 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -90.57 136.17 33.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.116 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.2 mmm -96.12 23.92 6.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.386 0.612 . . . . 0.0 109.987 -174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.22 -45.58 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.953 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 75.4 tttt -97.85 3.93 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.18 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -48.55 110.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.113 0.482 . . . . 0.0 112.203 -179.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -87.56 98.77 11.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.453 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . 56.0 m-85 -71.7 -15.43 62.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.351 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' C ' ' HD3' ' A' ' 94' ' ' LYS . 7.8 tmtm? -73.63 -44.59 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.22 81.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.011 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 2.0 mt -64.39 -23.19 67.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.409 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.11 -40.54 58.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.67 0.388 . . . . 0.0 111.61 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.26 3.88 69.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.962 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.3 mt -127.19 8.77 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 121.342 0.592 . . . . 0.0 110.676 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.6 m -71.7 99.9 2.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.038 0.446 . . . . 0.0 111.101 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.9 13.9 65.68 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.111 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.529 ' H ' HD12 ' A' ' 102' ' ' ILE . 4.4 mp -79.95 83.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -81.34 67.61 7.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.771 . . . . 0.0 110.737 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.478 HG11 HG13 ' A' ' 121' ' ' VAL . 48.5 t -128.54 -45.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 172.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -165.73 112.77 0.92 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.878 172.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -68.35 -28.56 67.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.359 0.6 . . . . 0.0 109.684 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.695 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 8.8 mp0 -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -42.48 27.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.25 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.695 ' HD2' ' HA ' ' A' ' 107' ' ' GLU . 94.7 mttt -60.7 -32.56 71.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.691 176.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' LYS . 48.4 tptt -92.88 8.53 39.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.7 157.48 22.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.447 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.2 mm -110.04 129.83 64.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 111.208 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.8 p -127.59 172.04 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.52 -33.12 66.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.039 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.55 87.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.323 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -64.37 -62.33 1.67 Allowed 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.687 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.561 ' O ' ' HB2' ' A' ' 122' ' ' MET . 0.0 OUTLIER -47.36 -36.23 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.203 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -61.71 -65.6 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.784 0.326 . . . . 0.0 111.397 174.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -51.78 66.23 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.513 0.673 . . . . 0.0 111.322 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.478 HG13 HG11 ' A' ' 104' ' ' VAL . 15.3 t -55.7 -43.92 75.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.906 -177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.644 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -69.36 -36.96 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.045 -0.409 . . . . 0.0 111.057 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.14 -23.13 61.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.201 0.524 . . . . 0.0 110.193 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.54 -45.16 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.374 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.57 -25.27 65.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.153 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.05 25.16 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.295 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 10.5 m-85 -75.08 150.09 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.016 0.436 . . . . 0.0 110.114 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -98.35 95.25 7.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.803 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.02 124.12 22.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.494 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.3 t -107.01 90.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 133' ' ' GLU . 14.4 ptpt -80.7 103.81 10.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.485 0.659 . . . . 0.0 110.474 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.895 HD23 ' H ' ' A' ' 132' ' ' LEU . 1.7 pt? -83.53 47.68 1.31 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.134 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 131' ' ' LYS . 4.7 pt-20 -108.07 173.75 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.529 0.681 . . . . 0.0 111.954 -174.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -159.32 119.46 3.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 170.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.43 132.54 51.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 110.581 -178.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -77.49 88.81 3.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.265 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -149.77 82.49 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.247 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -157.96 27.88 0.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.904 -179.104 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.89 0.376 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.76 -117.81 2.5 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.766 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -89.03 -170.23 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -88.72 147.88 24.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -178.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 -107.36 112.74 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.49 . . . . 0.0 111.015 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 8.1 mm-40 -107.7 154.2 21.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.595 -176.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -118.91 118.42 31.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.71 0.29 . . . . 0.0 111.438 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 41.2 ttmt -113.16 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 58.8 tttp -97.91 141.1 31.3 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 10.2 p90 -130.65 153.2 49.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 51.9 p -135.3 133.01 38.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.147 0.499 . . . . 0.0 111.003 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.88 105.93 5.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.983 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 41.8 t-20 -83.04 102.55 11.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -116.73 112.68 21.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.64 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 64.99 21.01 12.25 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.346 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.37 -10.12 57.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.925 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.559 HG23 HG12 ' A' ' 39' ' ' ILE . 44.8 m -92.75 102.08 14.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.8 mt-10 -84.61 102.86 13.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.53 HG12 HG22 ' A' ' 37' ' ' THR . 27.3 mt -90.68 105.83 16.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -112.71 92.73 4.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.444 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.69 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 50.7 mt -93.71 116.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.224 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 3.1 m -102.14 96.6 7.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.315 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 36.3 p90 -99.69 130.59 45.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.708 0.766 . . . . 0.0 111.447 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 75.1 t -96.3 122.77 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.812 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -121.88 148.98 44.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.377 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD13 ' A' ' 31' ' ' LEU . 34.4 mtpt -126.42 101.91 6.9 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.31 -115.82 4.11 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -170.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -117.68 8.12 12.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.938 0.399 . . . . 0.0 110.547 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' HG ' ' A' ' 31' ' ' LEU . 12.8 ttmt -100.31 139.19 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG12 ' SD ' ' A' ' 88' ' ' MET . 11.7 t -98.3 123.57 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 26' ' ' LYS . 5.8 mp -109.7 -19.42 13.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -170.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.523 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 97.5 mttt -139.14 118.1 12.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.62 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 52.6 tt0 -107.2 92.41 4.07 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -86.65 99.79 11.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.164 0.507 . . . . 0.0 109.706 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 21' ' ' ILE . 20.6 p -97.32 96.86 8.67 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 28.7 tt0 -107.64 104.68 14.27 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.0 -175.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.53 HG22 HG12 ' A' ' 19' ' ' ILE . 1.4 p -96.56 112.79 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.657 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 54.3 tttm -87.57 86.52 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.565 0.698 . . . . 0.0 109.403 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.559 HG12 HG23 ' A' ' 17' ' ' THR . 47.6 mt -86.86 113.94 25.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.297 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.479 ' NE2' ' HG2' ' A' ' 38' ' ' LYS . 29.3 mm-40 -72.79 144.69 47.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 4.5 m-30 -61.72 -21.43 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.37 71.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.205 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 m -75.74 -43.75 45.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.2 tt -75.34 -30.07 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.31 34.58 7.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.785 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.602 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -122.6 162.11 22.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.781 0.324 . . . . 0.0 110.662 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -128.29 -32.47 2.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.352 0.596 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.463 ' HB ' ' OE2' ' A' ' 50' ' ' GLU . 1.8 p -93.32 147.88 22.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.939 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -61.84 -42.66 99.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.985 -173.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 1.3 pm0 -79.91 -19.73 47.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.542 -175.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -77.91 -22.46 49.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.512 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.42 -38.09 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.573 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . . . -58.76 -38.98 79.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.273 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 63.7 mttp -51.53 -34.77 37.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.626 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.5 ' HB ' HD11 ' A' ' 44' ' ' ILE . 10.6 m -96.77 -33.55 11.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.833 -175.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 59' ' ' LEU . 71.9 mt -89.35 -26.28 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 43.9 mt-10 -60.12 -50.88 84.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 O-C-N 122.012 -0.43 . . . . 0.0 111.642 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 37.9 Cg_endo -68.53 -9.75 26.99 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.188 1.925 . . . . 0.0 112.269 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 56' ' ' LEU . 24.5 tp -76.0 -52.89 9.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -66.31 -33.08 74.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.159 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.9 -2.59 2.71 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.582 -176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -80.86 -15.69 55.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.582 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.7 m-85 -85.7 -57.71 2.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? 55.01 48.84 18.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.55 171.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 50.77 59.65 4.44 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.332 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 63' ' ' TYR . 60.9 mt -58.57 -41.13 81.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 111.08 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -148.17 -91.57 0.08 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.279 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.2 7.29 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 86' ' ' ILE . 9.3 m -86.9 110.33 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.057 0.456 . . . . 0.0 110.68 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -106.83 112.44 25.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.75 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.85 129.05 40.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.52 103.65 5.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 111.762 -173.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 46.5 mt -81.12 107.09 13.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.87 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 29.4 p -105.5 109.17 21.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 175.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 53' ' ' ALA . 71.8 m-85 -91.68 126.59 36.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.19 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.6 m -97.06 -60.49 1.57 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.491 . . . . 0.0 110.451 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -179.31 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.324 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.2 m -93.12 -0.38 57.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.68 0.752 . . . . 0.0 110.32 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 p90 -159.67 161.62 34.96 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.582 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.94 132.3 47.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.944 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 22.6 mt-30 -103.14 115.36 30.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 8.6 tp10 -92.06 108.42 19.93 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -98.38 100.53 11.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.715 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 82' ' ' GLU . 53.8 t -104.91 113.07 41.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.178 -178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 7.2 m -97.62 104.5 16.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' ' 69' ' ' VAL . 70.4 mt -94.35 108.91 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 91' ' ' VAL . 10.9 t70 -72.5 112.94 9.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 172.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.62 ' SD ' ' HB2' ' A' ' 33' ' ' GLN . 53.8 mtp -95.23 25.07 4.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -113.15 -36.19 5.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.42 0.629 . . . . 0.0 109.679 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 7.3 tmtt? -106.87 9.28 30.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.399 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -54.93 140.29 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -176.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.18 102.9 13.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.988 -1.005 . . . . 0.0 108.571 169.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 70.2 m-85 -71.35 -17.82 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -174.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 28.1 ttpt -57.65 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 174.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.48 -29.59 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.589 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 14.5 tp -58.38 -34.84 71.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.63 -27.56 66.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.393 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.75 4.83 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.565 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.85 -42.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m 64.85 -73.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.957 0.903 . . . . 0.0 112.421 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.72 9.43 86.82 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.458 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.44 131.67 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.01 84.58 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.081 0.467 . . . . 0.0 110.035 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.492 HG22 ' H ' ' A' ' 105' ' ' SER . 7.6 p -170.15 171.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.085 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.492 ' H ' HG22 ' A' ' 104' ' ' VAL . 45.6 m -73.15 142.1 47.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -63.54 -21.81 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -55.23 -39.87 70.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.624 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.46 -33.77 71.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.325 0.583 . . . . 0.0 109.961 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -34.76 62.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.231 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 99.4 mttt -60.57 -34.09 73.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -93.75 7.61 44.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.837 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.41 134.06 8.25 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.953 175.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 117' ' ' GLN . 48.8 mm -103.88 126.71 58.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.757 0.313 . . . . 0.0 110.439 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -121.51 -171.99 2.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.471 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 15.3 tpt -65.88 -35.71 81.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.25 86.74 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.486 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' A' ' 113' ' ' ILE . 4.7 mp0 -56.0 -73.81 0.05 Allowed 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 25.9 mmt -38.73 -49.11 1.57 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 115' ' ' MET . 16.7 mm-40 -57.09 -54.09 50.65 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.002 0.43 . . . . 0.0 111.193 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.89 -30.44 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.183 0.516 . . . . 0.0 111.675 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.94 -39.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.025 -173.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.695 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -73.1 -33.8 65.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 177.149 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.91 -35.63 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -44.0 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.984 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.04 -27.21 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 97.6 43.09 3.0 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.071 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.695 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 23.5 m-85 -103.65 139.89 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -103.09 144.76 30.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 142.03 32.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.256 0.55 . . . . 0.0 110.699 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.6 t -111.58 88.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 131' ' ' LYS . 33.3 ttmt -78.34 94.25 4.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.428 -176.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 132' ' ' LEU . 1.5 pt? -57.82 121.5 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -176.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 67.05 90.3 0.1 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.022 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -76.98 93.78 3.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.478 173.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -85.33 132.47 34.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -129.05 134.96 48.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -95.98 -56.36 2.68 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -162.51 -72.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.3 p80 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.379 173.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.438 0.161 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.497 ' HA3' ' HG3' ' A' ' 6' ' ' GLU . . . -114.44 -175.57 18.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.164 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -155.96 -50.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -136.03 110.8 8.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.077 -174.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 54.24 80.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.948 0.78 . . . . 0.0 111.344 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HG3' ' HA3' ' A' ' 2' ' ' GLY . 60.5 mm-40 -97.54 124.12 41.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.441 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -96.26 118.39 32.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.231 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -113.16 119.25 37.16 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HB3' ' O ' ' A' ' 130' ' ' VAL . 44.4 tttp -115.15 146.28 41.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.798 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 7.3 p90 -146.51 155.82 42.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 48.2 t -148.01 122.53 9.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.123 0.487 . . . . 0.0 110.352 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.29 119.1 30.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.176 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -79.69 94.31 5.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -81.51 69.55 8.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 71.38 -55.35 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.044 0.938 . . . . 0.0 111.362 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.52 -39.93 0.19 Allowed Glycine 0 C--N 1.314 -0.677 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.213 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 HG13 ' A' ' 39' ' ' ILE . 3.8 p -81.08 110.96 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.017 0.437 . . . . 0.0 111.295 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 11.9 mt-10 -85.16 94.62 8.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 11' ' ' SER . 44.8 mt -93.24 102.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.999 0.428 . . . . 0.0 110.483 -178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -111.74 102.98 11.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.452 0.644 . . . . 0.0 109.758 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.666 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 61.6 mt -98.16 127.66 50.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 m -114.74 93.77 4.47 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.363 177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.872 ' HB3' ' HG3' ' A' ' 33' ' ' GLN . 4.6 p90 -101.55 114.36 28.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 111.384 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -85.98 120.35 35.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.921 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -112.49 155.86 23.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -123.1 96.2 4.91 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.53 -116.12 4.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.078 -174.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.44 -12.96 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 110.994 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -97.67 122.91 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.129 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.64 126.18 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -110.29 -61.99 1.58 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -112.51 116.57 30.46 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.63 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.872 ' HG3' ' HB3' ' A' ' 23' ' ' TYR . 28.3 tt0 -113.32 98.87 7.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.674 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 p -85.62 103.51 14.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.592 0.711 . . . . 0.0 110.144 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.52 ' HA ' HG12 ' A' ' 21' ' ' ILE . 8.2 m -97.99 96.99 8.53 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.581 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -99.12 109.16 21.9 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.45 HG23 HG12 ' A' ' 19' ' ' ILE . 26.5 m -99.7 114.02 26.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.306 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 38.7 tttm -102.17 114.61 28.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.497 -177.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 17' ' ' THR . 3.5 mp -115.21 129.49 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.391 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -81.82 156.41 24.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -61.01 -30.55 70.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.585 0.231 . . . . 0.0 111.474 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.53 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 111.245 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -81.99 -38.97 24.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 46' ' ' ALA . 10.4 tt -81.0 -33.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.978 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.04 15.76 53.04 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.169 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -87.42 131.62 34.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 110.632 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 -14.36 38.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.247 0.546 . . . . 0.0 110.575 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.579 ' HB ' ' OE1' ' A' ' 50' ' ' GLU . 32.0 p -140.97 161.89 36.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.789 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -76.98 -19.71 56.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 24.4 mp0 -66.08 -48.59 70.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.166 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -72.63 -25.06 61.15 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.564 176.037 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.45 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 174.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.88 83.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.187 0.518 . . . . 0.0 110.083 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 51' ' ' ASP . 54.4 tttt -51.4 -30.37 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.796 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.6 m -92.16 -41.4 10.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.7 mt -84.68 -39.28 18.75 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 49.6 mt-10 -49.53 -53.03 44.91 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -175.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.8 Cg_endo -61.31 -16.08 44.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.197 1.932 . . . . 0.0 113.093 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.81 -46.6 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.364 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -64.63 -32.56 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.312 0.577 . . . . 0.0 110.097 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.82 -4.66 21.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 28.4 mtpp -72.54 -28.0 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.656 ' O ' HG13 ' A' ' 66' ' ' ILE . 91.2 m-85 -76.07 -37.76 57.85 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 171.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 43.1 tttm 57.57 -92.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.342 175.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.454 HD22 ' HA ' ' A' ' 65' ' ' ASN . 2.0 t-20 -172.03 37.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 176.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 63' ' ' TYR . 22.2 mt -50.03 -37.91 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.442 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 69' ' ' VAL . . . -151.04 -146.01 0.19 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 30.0 1.29 Allowed Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.978 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.788 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.4 m -86.3 102.49 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 110.478 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -93.63 140.79 29.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.495 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 93.77 4.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.624 0.726 . . . . 0.0 110.054 172.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 4.5 ttmp? -100.35 96.95 7.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.371 0.605 . . . . 0.0 109.711 -176.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -86.65 110.59 19.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.467 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.558 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 17.4 p -101.63 109.14 20.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.466 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -94.06 105.67 17.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.208 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.2 m -110.4 146.9 35.03 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -65.99 -7.9 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 111.724 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -104.48 -30.27 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.862 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -161.92 151.61 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.27 117.6 31.59 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 4.8 tt0 -104.97 120.03 40.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 110.574 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -87.34 91.72 8.82 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 15.4 t-20 -81.1 104.01 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.377 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.4 t -108.4 133.44 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.922 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 49.2 m -109.3 107.97 18.38 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.41 HD12 HE21 ' A' ' 33' ' ' GLN . 59.2 mt -99.79 99.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 91' ' ' VAL . 32.7 t0 -93.37 111.3 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.033 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.6 mmt -80.23 6.96 10.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.484 -168.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' OE2' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -101.86 1.31 36.87 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.296 -174.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HB2' ' OE2' ' A' ' 89' ' ' GLU . 82.6 tttt -143.96 3.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.712 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -67.7 148.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -115.91 104.43 11.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.648 168.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -66.32 -19.85 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.041 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -61.26 -35.85 78.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.71 -25.57 19.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.423 . . . . 0.0 110.83 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 96' ' ' LEU . 3.6 tt -66.39 -32.27 73.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.652 ' HA ' ' HA2' ' A' ' 101' ' ' GLY . 13.3 pt20 -65.66 -24.5 67.03 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.603 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.0 -19.21 75.47 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.41 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.413 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 37.4 mt -85.98 -76.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.404 0.621 . . . . 0.0 110.057 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.8 t -119.85 -33.68 3.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.587 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.652 ' HA2' ' HA ' ' A' ' 97' ' ' GLN . . . 65.29 5.9 24.07 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.24 -171.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 109' ' ' ALA . 67.8 mt 58.55 84.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.612 0.72 . . . . 0.0 109.554 -173.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -78.24 29.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.802 -169.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 102' ' ' ILE . 46.3 t -101.81 -36.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 171.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 p -175.32 108.38 0.1 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.431 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.77 -26.32 68.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.504 . . . . 0.0 110.146 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 11.7 tp10 -52.14 -38.62 58.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.07 175.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.54 -44.85 70.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -172.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.647 ' HB2' HD12 ' A' ' 102' ' ' ILE . . . -65.65 -34.13 77.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.545 -177.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -77.72 -15.15 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.827 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.415 ' HE2' ' HG3' ' A' ' 107' ' ' GLU . 53.6 mtmt -95.63 -30.79 13.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.424 . . . . 0.0 111.054 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.95 120.41 4.36 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.39 119.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 0.0 112.234 -171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.8 p -122.3 172.3 8.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.4 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 22.4 tpp -68.62 -40.85 80.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.338 -0.145 . . . . 0.0 110.796 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.9 -45.46 67.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.136 0.494 . . . . 0.0 110.292 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.64 -63.3 1.21 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.811 176.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 122' ' ' MET . 12.4 mmt -49.5 -28.45 5.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.45 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.792 0.33 . . . . 0.0 111.319 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.4 -30.18 68.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.054 0.454 . . . . 0.0 111.416 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.15 -43.69 24.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.87 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.91 -32.57 67.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.651 178.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.81 -22.51 59.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.308 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.54 -39.93 64.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.432 175.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.01 -26.79 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.92 32.18 11.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.089 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.593 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 20.0 m-85 -76.3 152.24 36.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.024 0.44 . . . . 0.0 111.19 -178.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -92.23 112.54 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.272 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -70.22 136.9 50.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.0 110.861 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.651 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 39.5 t -126.98 83.38 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.41 121.07 15.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.838 ' H ' HD12 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -72.52 102.42 3.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -172.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -99.93 10.16 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.249 0.547 . . . . 0.0 109.985 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.85 144.32 50.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.182 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -100.5 158.11 16.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -101.28 -11.8 19.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.985 0.422 . . . . 0.0 110.787 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -78.64 117.68 20.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.194 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -148.7 168.38 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 62.3 m80 . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.295 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.59 87.71 0.44 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.678 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.67 -74.19 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.019 0.438 . . . . 0.0 110.157 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 98.4 mttt -117.67 138.66 51.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 171.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 63.5 -173.49 0.16 Allowed 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.885 0.74 . . . . 0.0 109.084 -165.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 9.6 tp10 -139.15 142.77 37.99 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.952 -0.467 . . . . 0.0 110.499 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.1 p -116.92 119.24 34.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.321 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -112.98 112.31 23.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.36 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -101.92 137.96 39.52 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.214 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p90 -144.54 162.07 37.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 171.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' HG21 ' A' ' 130' ' ' VAL . 52.2 p -154.42 121.67 5.69 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.43 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.42 114.48 22.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -90.88 104.96 17.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.671 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.42 24.93 2.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.026 0.441 . . . . 0.0 110.397 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 59.26 91.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.111 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.49 -35.38 4.13 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 16.2 p -128.04 131.5 49.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.758 0.313 . . . . 0.0 110.992 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 18.6 mt-10 -103.03 107.64 18.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.2 mt -99.1 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.109 0.481 . . . . 0.0 110.044 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.15 114.9 25.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.318 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.52 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 36.7 mt -113.11 129.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.32 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -112.8 107.43 16.05 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.44 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' SER . 60.9 m-85 -87.45 111.26 20.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.899 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 32' ' ' LYS . 96.3 t -96.26 103.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . 52.5 p90 -122.93 153.21 40.0 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.481 -173.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 17.9 ttmm -114.48 91.1 3.51 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.76 -116.12 5.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.649 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -84.79 -23.71 29.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.472 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 107.8 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.543 -171.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 25' ' ' TYR . 48.5 t -76.49 119.07 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.5 mt -102.35 -35.76 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.919 -173.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 66.7 mttm -129.21 117.58 20.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.011 0.434 . . . . 0.0 110.944 177.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -107.55 101.32 10.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 29.0 m -88.11 91.36 8.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.769 176.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -108.16 101.9 11.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' CD ' HE21 ' A' ' 81' ' ' GLN . 11.1 tt0 -101.52 136.52 41.23 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.521 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.9 m -119.64 100.69 7.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 0.0 109.851 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.5 ttmp? -82.27 108.34 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.483 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 50.0 mt -99.82 126.27 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.314 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -78.56 155.11 29.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -74.83 60.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.425 0.631 . . . . 0.0 110.857 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.9 -44.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.112 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 m -78.97 -7.42 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.766 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.676 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.0 tt -106.93 -26.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.588 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.34 8.56 87.49 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.783 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.676 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -72.02 121.92 19.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 m -71.03 -48.09 54.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 168.59 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -64.46 -25.63 68.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.051 0.453 . . . . 0.0 109.844 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -62.45 -48.37 79.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.752 173.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 31.7 m-20 -62.91 -34.57 77.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.498 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.39 36.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.613 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.28 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.685 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 51' ' ' ASP . 16.4 ttpt -56.72 -28.13 60.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.29 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 m -99.22 -38.34 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.821 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -87.61 -30.83 20.19 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 36.2 mt-10 -58.75 -50.0 90.39 Favored Pre-proline 0 CA--C 1.536 0.44 0 O-C-N 121.981 -0.45 . . . . 0.0 112.208 -177.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 28.2 Cg_endo -65.71 -13.34 39.33 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.885 1.723 . . . . 0.0 112.506 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 tt -91.94 -41.5 10.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.306 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -67.72 -22.71 65.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.08 -6.01 5.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.147 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG2' HG23 ' A' ' 99' ' ' ILE . 36.5 ttpt -60.04 -38.05 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.027 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 66' ' ' ILE . 81.1 m-85 -84.57 -29.93 25.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.633 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HB3' ' H ' ' A' ' 65' ' ' ASN . 28.5 ttmt 59.48 -96.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 174.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 64' ' ' LYS . 6.0 p30 -172.2 37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 63' ' ' TYR . 17.4 mt -47.35 -45.82 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.243 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -145.97 -145.47 0.17 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.453 -176.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 87' ' ' ASP . . . -78.12 36.91 1.73 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.614 173.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -93.95 100.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.262 178.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.58 121.13 40.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.295 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 96.62 7.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.398 0.618 . . . . 0.0 110.084 176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 58.0 mttp -99.92 101.54 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.952 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.35 107.28 16.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.654 173.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB2' ' A' ' 81' ' ' GLN . 3.0 p -110.48 115.48 29.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.22 0.534 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -104.66 117.45 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.483 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.9 m -110.52 -40.47 4.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -164.8 -87.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.87 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 78' ' ' THR . 16.9 m -111.79 13.97 21.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.068 0.937 . . . . 0.0 109.634 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -143.67 147.99 35.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.745 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.07 124.99 45.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.143 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.598 ' HB2' ' OG1' ' A' ' 74' ' ' THR . 47.7 mt-30 -98.19 114.68 26.99 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.348 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -85.29 84.07 7.78 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.427 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -82.53 102.38 11.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.11 -177.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.9 116.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.538 -176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 29.9 m -108.19 120.04 41.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.6 mt -113.22 108.38 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' CB ' ' HA3' ' A' ' 68' ' ' GLY . 4.6 t0 -84.53 109.0 17.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.54 16.06 3.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 1.43 21.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.26 0.552 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -135.8 -2.81 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.465 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.36 152.94 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 112.885 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -117.76 98.35 6.32 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.363 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -64.14 -20.75 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.381 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -66.05 -52.53 48.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.362 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 -38.78 71.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.19 -22.22 66.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.692 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.36 -13.02 61.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.319 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.88 20.51 8.62 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.487 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.751 HG23 ' HG2' ' A' ' 62' ' ' LYS . 64.4 mt -129.84 -42.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.67 0.271 . . . . 0.0 111.636 -176.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.476 ' HB2' HG13 ' A' ' 102' ' ' ILE . 43.5 p -64.14 -53.66 46.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.278 0.561 . . . . 0.0 111.304 -176.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.28 26.24 60.0 Favored Glycine 0 C--N 1.317 -0.492 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.013 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.476 HG13 ' HB2' ' A' ' 100' ' ' SER . 61.0 mt -71.24 93.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.063 0.459 . . . . 0.0 110.036 178.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.84 28.39 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.752 0.787 . . . . 0.0 110.38 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 121' ' ' VAL . 43.6 t -84.92 -63.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -138.08 96.39 3.19 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.92 167.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -61.48 -35.31 77.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.137 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 12.5 pt-20 -68.84 -23.33 64.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.975 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.65 -35.75 67.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.885 0.374 . . . . 0.0 110.746 -176.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.09 -17.16 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.15 0.5 . . . . 0.0 110.376 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 94.6 mttt -84.31 -40.3 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.118 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 107' ' ' GLU . 89.6 mttt -70.63 -39.3 73.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.24 135.51 3.69 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.9 mm -86.39 112.81 23.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.9 p -121.91 -173.9 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.214 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.494 ' CE ' ' HA ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -66.16 -47.5 73.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 178.074 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.17 84.17 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.806 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.524 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -50.92 -64.8 0.7 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 174.549 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 122' ' ' MET . 19.0 mmt -54.79 -39.73 68.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.98 -58.78 7.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.46 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.88 0.848 . . . . 0.0 111.061 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.644 HG13 HG11 ' A' ' 104' ' ' VAL . 3.0 t -73.83 -43.47 53.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.152 -1.385 . . . . 0.0 111.921 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' MET . 16.5 mmt -75.27 -28.24 59.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 111.047 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.28 -31.62 69.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 174.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.34 81.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -25.15 53.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.54 45.33 6.16 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.236 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -96.73 176.04 6.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -124.79 136.78 54.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 111.089 -175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -70.36 146.98 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.166 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.531 HG21 ' OG ' ' A' ' 11' ' ' SER . 6.8 t -122.82 -35.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.479 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 56.37 -163.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.621 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.09 26.35 10.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.696 0.76 . . . . 0.0 109.588 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -120.02 146.07 46.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -0.66 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.822 0.344 . . . . 0.0 110.663 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.26 160.56 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.736 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -107.89 163.38 13.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.701 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -87.48 112.91 22.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.841 0.353 . . . . 0.0 111.822 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -138.96 73.21 1.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 0.0 109.785 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.8 m80 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.217 176.369 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mmt . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 55.59 68.65 1.58 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -175.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -102.97 25.72 9.02 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -168.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -93.26 -19.72 21.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 165.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 42.8 mt-10 65.28 124.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.176 -167.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 5.0 mm-40 -97.15 116.05 28.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.336 0.589 . . . . 0.0 110.618 -164.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -101.6 112.77 25.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.783 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -113.15 117.76 32.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE2' ' OG1' ' A' ' 22' ' ' THR . 37.5 ttmt -105.07 146.53 28.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.33 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.7 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 17.1 p90 -129.7 145.75 51.51 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 167.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 24.6 t -146.54 131.63 18.31 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.506 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.87 24.41 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.892 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.14 108.54 18.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.839 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.1 mt -82.52 -161.08 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -55.94 -35.39 66.59 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.27 23.46 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 7.6 p -136.66 130.63 32.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.866 0.365 . . . . 0.0 111.295 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 21.3 mt-10 -95.08 103.91 15.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 11' ' ' SER . 37.4 mt -97.45 104.88 16.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.285 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -120.16 104.31 9.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.316 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 45.8 mt -106.79 115.67 48.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.693 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 ' OG1' ' HE2' ' A' ' 9' ' ' LYS . 10.4 m -100.24 94.22 6.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.727 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 33' ' ' GLN . 13.3 p90 -88.69 127.4 35.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.512 0.672 . . . . 0.0 110.427 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 5' ' ' GLU . 57.7 t -102.04 115.22 43.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.106 -177.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 22.9 p90 -116.14 155.07 28.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.931 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -127.65 97.77 4.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.53 -115.63 4.08 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -105.4 -25.8 12.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 0.0 109.471 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HD2' HD21 ' A' ' 31' ' ' LEU . 4.5 ttmp? -76.43 123.49 26.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.781 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 25' ' ' TYR . 17.3 t -84.35 128.05 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 HD21 ' HD2' ' A' ' 29' ' ' LYS . 96.5 mt -113.07 -27.98 7.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 98.6 mttt -138.05 150.95 47.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 23' ' ' TYR . 36.6 tt0 -140.5 108.45 5.71 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.846 0.355 . . . . 0.0 110.25 174.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -90.4 92.27 8.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HG12 ' A' ' 21' ' ' ILE . 18.5 m -97.8 94.13 6.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -94.61 127.56 40.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.08 0.467 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG12 ' A' ' 19' ' ' ILE . 40.1 m -118.79 112.77 20.14 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.331 174.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HG2' ' OE1' ' A' ' 40' ' ' GLN . 4.3 ttmp? -91.94 102.14 14.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.04 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 4.5 mp -90.65 113.07 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.003 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HG2' ' A' ' 38' ' ' LYS . 7.6 mm100 -73.62 153.51 40.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.53 64.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 110.807 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.07 -67.35 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.784 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 m -70.0 -25.53 63.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 46' ' ' ALA . 11.4 tt -74.32 -24.62 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.68 77.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.317 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.783 ' H ' HG23 ' A' ' 44' ' ' ILE . . . -102.05 152.43 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.46 0.172 . . . . 0.0 110.607 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -134.62 4.31 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.922 0.391 . . . . 0.0 111.614 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -151.0 156.05 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.19 -41.67 96.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.807 0.276 . . . . 0.0 111.387 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -61.24 -47.68 84.93 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.385 0.612 . . . . 0.0 109.553 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 46' ' ' ALA . 17.5 t70 -62.61 -37.94 88.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.56 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.817 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 75' ' ' TYR . . . -60.38 -43.46 96.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.197 0.522 . . . . 0.0 110.201 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -61.0 -15.68 34.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.257 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -98.83 -35.56 10.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HE1' ' A' ' 75' ' ' TYR . 71.6 mt -93.04 -25.41 17.95 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 4.8 mm-40 -53.75 -48.95 91.73 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 18.9 Cg_endo -60.3 -19.39 57.62 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.798 1.665 . . . . 0.0 112.562 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.27 -44.2 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.1 p -66.73 -27.59 67.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.254 0.55 . . . . 0.0 110.503 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 -11.45 58.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.462 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.86 -30.66 61.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.719 0.295 . . . . 0.0 110.348 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' HD11 ' A' ' 66' ' ' ILE . 87.5 m-85 -81.64 13.06 3.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.108 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -51.78 96.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.847 0.717 . . . . 0.0 112.317 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 52.83 46.49 26.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.361 175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 95' ' ' ALA . 59.7 mt -66.3 -38.77 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.989 0.9 . . . . 0.0 109.391 173.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.86 -149.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.023 -1.444 . . . . 0.0 108.372 -172.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.97 45.01 1.89 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.506 172.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.5 m -89.64 123.5 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 121.241 0.543 . . . . 0.0 110.325 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 32.7 mt-10 -119.95 93.02 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.47 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.6 pm0 -81.74 101.04 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.653 0.74 . . . . 0.0 109.63 176.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -100.1 103.44 14.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.059 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.449 HD13 ' OH ' ' A' ' 75' ' ' TYR . 51.4 mt -93.58 114.18 26.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.345 -175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.661 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 79.4 p -118.31 114.66 23.31 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 173.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.632 ' HE1' HD12 ' A' ' 56' ' ' LEU . 90.6 m-85 -100.75 136.12 41.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.922 -175.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.0 p -115.96 -155.57 0.58 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.93 -24.03 17.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.8 m -110.15 -33.6 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.818 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -142.1 155.86 45.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.369 0.604 . . . . 0.0 111.86 -174.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.49 119.94 40.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.318 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.661 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 0.9 OUTLIER -98.12 105.67 17.85 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.49 93.99 5.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.828 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' HB2' ' OE1' ' A' ' 81' ' ' GLN . 3.3 t-20 -88.38 106.31 18.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -96.78 104.96 16.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.403 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 20.3 m -92.89 103.13 15.49 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.15 112.49 32.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.357 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.6 t70 -79.35 114.81 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.8 mtt -88.91 12.44 15.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -95.28 -41.89 8.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.179 0.514 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -95.4 0.17 53.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.304 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.82 139.51 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.368 0.604 . . . . 0.0 112.53 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -116.56 96.97 5.75 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.641 174.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -60.14 -37.62 80.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.318 -171.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.29 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.263 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 66' ' ' ILE . . . -82.92 -39.06 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 0.0 110.378 178.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -23.81 64.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.54 -28.25 65.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 0.08 77.37 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.859 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 66' ' ' ILE . 4.1 mt -131.61 14.86 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.355 0.598 . . . . 0.0 110.019 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 p -74.0 91.14 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.335 0.588 . . . . 0.0 111.608 -174.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.67 25.76 24.97 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.928 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.6 mt -79.58 86.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.99 0.424 . . . . 0.0 109.916 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -88.68 31.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.638 0.732 . . . . 0.0 110.358 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.09 -67.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.1 m -151.72 92.42 1.75 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.307 171.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.9 -25.49 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.316 0.579 . . . . 0.0 110.525 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.554 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 10.5 mp0 -66.02 -14.66 62.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.633 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 117' ' ' GLN . 24.3 t70 -70.44 -42.02 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.138 0.494 . . . . 0.0 109.905 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.34 -27.63 65.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.53 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 107' ' ' GLU . 89.6 mttt -76.97 -17.92 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.902 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 111' ' ' LYS . 29.6 ttpt -91.38 -35.26 14.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.56 105.52 1.32 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.197 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -64.45 110.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.346 0.594 . . . . 0.0 110.957 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -128.02 179.72 5.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.294 178.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -57.7 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.747 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.48 72.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -177.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.669 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 2.5 mp0 -58.95 -64.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.48 176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 118' ' ' MET . 10.2 mmt -49.87 -37.96 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.459 0.474 . . . . 0.0 111.414 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.2 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.891 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 120' ' ' LEU . 5.4 tt -65.25 -41.47 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 0.0 110.428 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 1.9 t -66.68 -37.02 78.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.088 -176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.2 mmt -76.79 -29.25 55.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -64.14 -39.14 93.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.37 84.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.906 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.04 -18.43 61.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.697 0.284 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 81.86 28.99 40.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.178 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.55 159.29 26.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.777 0.322 . . . . 0.0 110.285 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' SER . 39.5 mmtm -90.79 124.86 35.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.417 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -78.64 133.63 37.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.206 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.53 112.25 38.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.738 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' A' ' 131' ' ' LYS . 3.6 ptpt -99.15 120.41 39.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.782 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.3 mp -92.71 -3.35 54.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.866 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -83.0 96.78 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -160.4 94.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.068 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.96 -177.92 3.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.649 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -78.66 102.83 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -142.19 170.18 16.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -108.14 153.58 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.262 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.1 p80 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.051 176.856 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.06 70.38 2.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.783 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.81 74.93 4.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.243 0.544 . . . . 0.0 110.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -144.49 161.44 39.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.015 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -71.39 107.88 4.55 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.749 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 10.5 tp10 -105.12 137.51 42.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t -96.13 116.08 28.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.296 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 52.5 tttm -123.92 116.02 22.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB2' HG23 ' A' ' 22' ' ' THR . 37.8 ttpt -116.06 139.52 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 111.826 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.687 ' CE1' ' HB ' ' A' ' 21' ' ' ILE . 17.6 p90 -126.61 167.11 16.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 170.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -154.74 118.67 4.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 0.0 110.38 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.11 133.21 55.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.691 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -92.75 96.19 10.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.49 101.11 13.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.605 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 63.6 18.52 11.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.85 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.78 -13.39 17.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.178 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 m -109.02 116.86 32.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 9.2 mt-10 -76.24 140.67 41.71 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 21' ' ' ILE . 17.8 mt -126.08 101.4 8.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.31 99.97 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.881 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 40.1 mt -101.65 117.41 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -176.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 9' ' ' LYS . 3.9 m -104.87 101.17 10.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.833 174.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -103.75 128.02 51.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.651 0.738 . . . . 0.0 110.97 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 90.9 t -95.73 115.61 35.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.249 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -117.54 161.21 19.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.356 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -137.75 104.99 5.45 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.49 -115.98 4.41 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -109.82 6.78 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.646 0.736 . . . . 0.0 109.595 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 34.6 ttmt -105.86 110.63 22.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.712 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.34 119.85 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' HD2' ' A' ' 29' ' ' LYS . 95.5 mt -103.49 -21.62 13.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -170.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.58 135.53 14.66 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HG3' HG23 ' A' ' 21' ' ' ILE . 32.4 tt0 -123.03 108.32 12.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.751 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 6.4 p -92.78 94.73 9.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.357 0.599 . . . . 0.0 109.927 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -97.82 118.06 33.53 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.765 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.63 112.04 23.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.15 0.5 . . . . 0.0 110.118 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 28.0 m -98.24 111.38 23.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.925 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 4.7 ttmp? -94.59 111.04 22.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.887 0.375 . . . . 0.0 111.203 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.61 119.94 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.749 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.523 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -73.57 140.25 46.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 178.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 44' ' ' ILE . 3.8 m-85 -59.61 -30.37 68.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 111.007 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.37 62.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.679 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -92.57 -31.45 15.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.0 0.429 . . . . 0.0 111.055 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.577 HD11 ' HB ' ' A' ' 55' ' ' THR . 8.6 tt -87.51 -25.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.05 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.8 38.28 14.29 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.299 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.13 131.59 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.736 0.303 . . . . 0.0 110.806 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 m -92.87 -34.12 13.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.307 0.575 . . . . 0.0 109.979 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -123.16 171.38 9.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.164 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -73.46 -26.56 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -68.67 -36.38 78.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.558 173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -59.15 -46.15 89.11 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.192 0.52 . . . . 0.0 110.048 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HA ' HD13 ' A' ' 44' ' ' ILE . . . -58.67 -50.54 73.47 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.331 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 57' ' ' GLU . . . -59.64 -44.73 93.4 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -57.49 -25.31 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 44' ' ' ILE . 2.6 m -99.25 -34.24 10.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.3 -27.43 22.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -173.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.3 mt-10 -56.74 -45.49 99.94 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 81.5 Cg_exo -43.13 -33.77 3.75 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.849 2.366 . . . . 0.0 113.333 170.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.49 -45.65 10.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.952 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 57' ' ' GLU . 62.3 p -67.81 -28.47 67.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 111.584 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.87 29.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.88 -2.57 58.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.87 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 75.9 m-85 -89.47 2.15 54.92 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -55.62 106.61 0.26 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.306 0.575 . . . . 0.0 111.966 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.19 43.06 21.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.567 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 22.2 mt -78.6 -35.07 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.547 0.689 . . . . 0.0 109.675 173.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.84 -154.22 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.74 2.8 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 168.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 85' ' ' THR . 18.8 m -81.77 108.84 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.736 0.779 . . . . 0.0 110.685 -173.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 85' ' ' THR . 22.2 tt0 -93.34 102.98 15.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.841 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.17 121.78 38.31 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.596 -177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 99.0 mttt -125.2 97.09 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.124 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.6 mt -82.92 98.7 9.35 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 172.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 108.99 19.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.085 -171.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.65 102.26 13.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -79.96 -51.96 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.413 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -176.17 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.721 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -101.9 -6.7 23.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.251 0.548 . . . . 0.0 110.997 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -142.01 145.95 35.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 111.034 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.74 120.44 41.99 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.496 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -97.93 110.21 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 32.8 tt0 -86.36 79.66 8.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 3.6 t-20 -82.16 102.97 11.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.498 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.435 HG11 ' CE2' ' A' ' 63' ' ' TYR . 32.2 t -111.57 130.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -175.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 14.6 m -110.58 103.48 12.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.002 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.97 107.33 21.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.572 0.225 . . . . 0.0 110.573 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.8 113.5 7.11 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 173.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.562 ' HA ' HG22 ' A' ' 91' ' ' VAL . 58.3 mtt -83.4 7.75 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.149 0.5 . . . . 0.0 110.594 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HG2' HD22 ' A' ' 31' ' ' LEU . 40.2 mt-10 -78.52 -30.13 46.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.492 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -145.94 76.75 1.47 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.255 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 88' ' ' MET . 1.6 t -95.5 131.19 42.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.485 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -83.88 83.6 7.87 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' CD2' ' HB ' ' A' ' 91' ' ' VAL . 19.2 m-85 -61.72 -21.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.586 -174.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 94' ' ' LYS . 43.0 mtpt -73.64 -40.74 63.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.701 0.286 . . . . 0.0 110.454 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.86 -25.24 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 0.0 110.099 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.77 -27.24 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.11 -4.05 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.043 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.31 -21.44 51.84 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.713 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 pt -127.09 6.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 p -76.44 78.18 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.869 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.89 43.0 1.92 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.692 HG22 HG12 ' A' ' 104' ' ' VAL . 49.7 mt -79.22 98.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.185 -0.508 . . . . 0.0 110.21 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -84.75 86.88 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.318 0.58 . . . . 0.0 111.418 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.692 HG12 HG22 ' A' ' 102' ' ' ILE . 6.7 p -162.83 -44.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.7 173.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 p -175.37 159.99 2.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.766 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 110' ' ' LYS . . . -95.33 -17.21 21.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.412 0.625 . . . . 0.0 109.752 176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 111' ' ' LYS . 24.0 mt-10 -69.68 -25.26 63.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.513 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.87 -51.95 66.12 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.108 0.48 . . . . 0.0 109.83 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.48 89.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.552 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 94.3 mttt -66.74 -39.05 87.79 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.791 0.329 . . . . 0.0 111.397 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 1.3 mptm? -72.63 -30.25 64.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.281 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.3 114.33 3.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.524 ' HA ' HE21 ' A' ' 117' ' ' GLN . 1.7 mp -62.44 124.23 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.519 0.676 . . . . 0.0 111.682 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.63 173.97 9.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.047 176.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.27 -40.28 90.03 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.29 -50.21 67.84 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.418 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 113' ' ' ILE . 16.7 mt-30 -59.22 -64.64 0.87 Allowed 'General case' 0 C--O 1.201 -1.48 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.262 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.626 ' O ' ' HG2' ' A' ' 122' ' ' MET . 7.9 mmt -39.19 -53.12 1.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.454 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 16.2 mm-40 -60.05 -51.13 70.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.83 -26.51 59.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.337 0.589 . . . . 0.0 111.437 -177.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.8 -38.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.375 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.626 ' HG2' ' O ' ' A' ' 118' ' ' MET . 32.8 mmt -63.32 -41.88 98.95 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -64.31 -38.79 92.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.587 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.54 80.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.266 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.445 ' HB2' ' HB ' ' A' ' 104' ' ' VAL . . . -71.39 -32.27 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.081 0.467 . . . . 0.0 110.874 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.18 38.48 4.55 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.79 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -83.88 147.07 27.73 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.479 ' HB2' ' HE3' ' A' ' 128' ' ' LYS . 34.7 ttmt -104.07 125.64 50.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.056 0.455 . . . . 0.0 110.879 -175.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.71 144.69 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.026 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.15 -34.34 3.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 58.21 26.03 13.31 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.743 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.3 mt 64.97 100.33 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.74 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 134' ' ' HIS . 1.0 OUTLIER -109.77 176.61 5.01 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.577 ' H ' ' CD ' ' A' ' 133' ' ' GLU . 0.3 OUTLIER 60.48 63.09 1.41 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.554 . . . . 0.0 110.581 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -78.14 150.17 33.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.045 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 62.59 -93.88 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.912 170.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -159.77 -80.7 0.05 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.103 0.477 . . . . 0.0 110.174 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.86 -63.96 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 . . . . . 0 C--O 1.25 1.107 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 171.633 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttp . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.737 0.303 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.62 70.56 0.83 Allowed Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.74 -179.85 5.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 110.372 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -160.24 -62.63 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.66 113.65 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 O-C-N 124.287 0.992 . . . . 0.0 110.774 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' VAL . 35.7 mt-10 -112.03 149.34 32.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.721 -171.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -130.81 121.14 24.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG3' ' HA ' ' A' ' 131' ' ' LYS . 40.6 ttmt -122.61 119.85 32.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.772 0.32 . . . . 0.0 110.275 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 ttpt -101.49 121.82 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.609 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 5.4 p90 -107.33 147.01 30.83 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 168.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 26.3 t -147.13 114.68 6.36 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.997 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.35 120.13 35.12 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.315 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 16.8 p-10 -89.59 103.71 16.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.704 0.764 . . . . 0.0 109.967 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD12 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -101.13 93.0 5.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.134 -174.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.9 t30 59.46 66.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.337 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.94 17.78 78.7 Favored Glycine 0 CA--C 1.519 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 113.234 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -134.57 104.27 6.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 13' ' ' ASN . 4.2 mt-10 -91.84 99.6 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.459 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.539 HG12 HG23 ' A' ' 37' ' ' THR . 39.7 mt -91.13 108.45 19.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.454 -0.499 . . . . 0.0 109.758 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 10' ' ' PHE . . . -115.04 108.57 16.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.987 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.609 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 48.6 mt -101.74 110.93 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 4.4 m -97.42 89.49 4.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.99 176.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.408 ' OH ' ' HD2' ' A' ' 8' ' ' LYS . 18.0 p90 -91.47 126.6 36.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 111.277 -177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' GLU . 56.1 t -89.89 121.1 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.263 174.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -129.8 154.62 47.05 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.35 -175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -134.34 104.17 6.03 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.37 -118.94 5.03 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.226 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -106.84 -1.77 22.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.567 0.698 . . . . 0.0 109.523 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HD23 ' A' ' 31' ' ' LEU . 2.8 tmtm? -92.99 111.57 23.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.149 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.5 124.49 37.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 29' ' ' LYS . 85.2 mt -102.41 -41.62 6.26 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -170.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -135.5 127.65 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -107.77 96.05 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.109 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 15.5 m -85.41 91.32 8.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.354 0.597 . . . . 0.0 109.877 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.498 ' HA ' HG12 ' A' ' 21' ' ' ILE . 34.6 t -97.37 101.05 12.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.838 -176.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' GLU . 37.3 mt-10 -101.31 108.59 20.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.945 0.402 . . . . 0.0 110.753 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 82' ' ' GLU . 14.5 m -92.61 101.94 14.36 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 6.7 tppt? -82.07 101.61 10.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.82 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mt -102.31 115.61 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 -175.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.05 143.24 49.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.0 m-30 -64.48 -14.9 59.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.15 72.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.7 0.286 . . . . 0.0 111.422 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 m -85.28 -23.46 28.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.422 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 41' ' ' PHE . 11.8 tt -99.79 -25.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.006 0.432 . . . . 0.0 111.255 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.68 34.07 14.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.758 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -102.51 147.02 27.27 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -102.61 -38.9 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.514 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -138.16 -179.45 5.79 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.654 0.264 . . . . 0.0 110.661 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.7 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 7.4 ptpp? -60.6 -33.57 72.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.953 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.08 -36.54 77.73 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.323 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -55.61 -48.38 75.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.854 0.835 . . . . 0.0 109.32 175.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.79 95.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.046 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.46 79.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -55.94 -23.19 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.357 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.5 m -98.02 -49.68 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.774 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 mt -93.13 -9.84 38.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.39 -45.51 13.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 121.441 -0.787 . . . . 0.0 110.753 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -48.95 -31.94 21.68 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.163 1.909 . . . . 0.0 111.823 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -75.12 -46.64 33.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' OE2' ' A' ' 71' ' ' GLU . 3.9 p -66.62 -17.04 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.373 0.606 . . . . 0.0 110.955 178.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' O ' ' HD2' ' A' ' 64' ' ' LYS . . . -72.0 1.02 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.824 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -88.73 -43.4 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 174.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 78.0 m-85 -90.95 3.19 55.31 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -174.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -59.38 105.5 0.35 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 122.045 0.926 . . . . 0.0 111.619 -171.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 50.3 65.16 1.52 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.782 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 63' ' ' TYR . 30.1 mt -95.95 -77.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 91' ' ' VAL . . . -121.85 -145.14 0.35 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.011 177.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 87' ' ' ASP . . . -75.94 48.96 2.44 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 171.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.13 101.63 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.56 0.695 . . . . 0.0 110.151 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.538 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.6 mt-10 -95.21 107.25 19.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.549 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HB3' ' A' ' 60' ' ' SER . 77.4 tt0 -110.47 129.27 55.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.04 0.447 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . 51.0 tptt -132.4 106.65 8.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.81 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -91.88 99.69 12.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 0.0 110.775 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 68.0 p -101.78 108.95 20.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -119.87 120.65 37.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.566 0.698 . . . . 0.0 112.231 -176.343 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 m -100.28 161.81 13.36 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -77.44 58.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.334 0.587 . . . . 0.0 110.812 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 79' ' ' TYR . 5.2 t -171.58 -35.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.529 ' CD2' HG23 ' A' ' 78' ' ' THR . 44.0 p90 -153.05 153.15 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.305 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.47 127.63 54.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.187 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.584 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 33.4 tt0 -98.81 108.77 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.139 0.495 . . . . 0.0 109.904 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 37' ' ' THR . 20.4 tt0 -83.76 84.93 7.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.933 176.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 22.3 t-20 -81.02 101.59 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.037 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 34' ' ' SER . 22.7 t -107.67 147.37 12.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 70' ' ' GLU . 23.6 m -143.0 106.54 4.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.1 mt -98.11 108.8 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.008 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HA3' ' A' ' 68' ' ' GLY . 8.7 t70 -74.42 122.01 22.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.529 ' HA ' HG22 ' A' ' 91' ' ' VAL . 52.3 mtt -91.54 22.67 3.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.045 -173.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.91 -19.88 10.78 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.467 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -114.13 -12.15 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.338 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.57 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -61.67 137.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.5 104.23 14.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.133 -0.939 . . . . 0.0 108.903 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.53 ' HA ' ' CB ' ' A' ' 96' ' ' LEU . 8.9 m-85 -63.22 -13.92 43.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.115 -173.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -64.19 -38.33 90.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 0.0 110.639 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.57 -28.68 20.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 109.832 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 93' ' ' PHE . 10.0 tp -58.83 -30.03 67.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.61 178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.56 -38.04 68.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.548 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.62 -18.48 63.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.0 pt -126.19 38.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.8 m -72.11 100.53 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.01 0.433 . . . . 0.0 110.685 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.68 -6.96 60.39 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.067 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.45 88.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.87 67.09 6.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 0.0 110.699 -175.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.4 t -141.53 -74.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 109.835 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.9 m -137.76 138.86 39.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.977 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.98 -30.49 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.108 0.48 . . . . 0.0 111.32 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.467 ' HA ' ' HG3' ' A' ' 110' ' ' LYS . 29.9 mt-10 -79.9 -3.49 48.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.432 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -73.08 -33.76 65.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.74 -22.73 64.3 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.82 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HG3' ' HA ' ' A' ' 107' ' ' GLU . 96.7 mttt -67.21 -37.18 83.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.721 175.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -78.64 -53.33 7.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.16 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.81 115.03 1.6 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.453 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.9 118.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.762 0.792 . . . . 0.0 110.802 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.85 172.51 10.79 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.365 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.437 ' HE3' ' OE2' ' A' ' 119' ' ' GLU . 13.3 tpt -67.29 -43.62 81.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.331 -173.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.04 71.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.687 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.32 -64.01 1.1 Allowed 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.47 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 mmt -44.57 -41.07 6.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.437 ' OE2' ' HE3' ' A' ' 115' ' ' MET . 61.4 mm-40 -61.72 -57.94 9.96 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -76.43 -27.3 56.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.364 0.602 . . . . 0.0 111.304 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.2 t -72.54 -46.9 53.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.501 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.69 ' HG3' ' HD2' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.45 -26.48 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 175.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.28 -35.41 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.492 174.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.69 -37.92 67.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.24 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.37 32.47 7.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.505 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.69 ' HD2' ' HG3' ' A' ' 122' ' ' MET . 19.1 m-85 -90.0 139.21 30.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 110.314 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -99.17 127.39 45.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 123.28 32.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.365 0.602 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.55 -16.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.059 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' A' ' 8' ' ' LYS . 44.8 mtpt 66.42 -170.3 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 -176.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 tp -162.94 95.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -128.2 172.63 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.29 108.73 5.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.713 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -95.37 -22.93 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.287 0.565 . . . . 0.0 109.5 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -95.59 92.01 6.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.643 176.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -144.31 99.17 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.429 . . . . 0.0 111.482 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -146.48 173.76 12.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.023 -178.235 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.46 144.77 12.46 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.43 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -79.12 155.27 28.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.714 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 2.7 mptp? -86.32 93.5 9.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.344 -172.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 69.52 106.72 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.988 0.805 . . . . 0.0 110.665 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -130.21 145.53 51.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 -174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HB3' HD11 ' A' ' 132' ' ' LEU . 24.3 t -96.74 129.14 44.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.126 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 8' ' ' LYS . 1.9 tppp? -113.73 99.21 7.54 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HG3' ' OG1' ' A' ' 22' ' ' THR . 46.1 tttp -95.5 108.74 21.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.586 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.762 ' CE2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -115.6 152.34 33.27 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 173.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -148.34 130.17 15.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.894 0.378 . . . . 0.0 110.107 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.81 113.05 16.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -82.49 104.87 13.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.2 mt -84.85 174.18 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -76.67 54.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.164 0.506 . . . . 0.0 110.892 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.51 -54.88 0.22 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.867 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 HG12 ' A' ' 39' ' ' ILE . 8.2 p -115.28 146.04 41.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 111.768 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 38' ' ' LYS . 7.0 mt-10 -105.35 102.22 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.528 HG12 HG23 ' A' ' 37' ' ' THR . 50.4 mt -98.34 118.58 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.988 0.423 . . . . 0.0 111.544 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.47 106.97 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.338 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.762 ' HB ' ' CE2' ' A' ' 10' ' ' PHE . 57.5 mt -108.78 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 121.715 0.769 . . . . 0.0 110.344 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.471 ' OG1' ' HG3' ' A' ' 9' ' ' LYS . 7.2 m -103.9 94.52 5.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.314 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -103.7 128.0 51.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.409 0.624 . . . . 0.0 111.232 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.9 t -95.3 127.14 47.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.716 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 44.6 p90 -118.6 145.65 45.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.322 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -117.63 92.92 3.97 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.62 4.96 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.524 -176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -99.26 3.6 46.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.633 0.254 . . . . 0.0 111.255 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -121.72 133.34 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.242 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG21 ' HG3' ' A' ' 118' ' ' MET . 21.5 t -84.21 133.48 29.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 172.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -119.7 -20.07 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -171.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -146.94 117.06 7.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.995 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -108.51 106.85 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.433 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 7.1 m -89.09 102.78 15.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 33.2 t -106.83 103.32 12.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -112.59 104.29 12.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.28 0.562 . . . . 0.0 109.73 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.528 HG23 HG12 ' A' ' 19' ' ' ILE . 37.6 m -102.04 110.47 22.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' A' ' 18' ' ' GLU . 71.5 tttt -87.68 108.8 19.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.076 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 17' ' ' THR . 46.4 mt -100.45 122.9 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.3 147.88 37.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 9.9 m-30 -64.79 -23.84 67.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.86 88.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.812 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 p -84.55 -27.45 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 41' ' ' PHE . 10.4 tt -83.05 -29.2 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.389 . . . . 0.0 110.826 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.16 32.68 8.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 41' ' ' PHE . . . -114.46 148.29 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 m -105.59 -32.77 8.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -134.11 179.26 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 5.4 tmmm? -65.8 -35.46 80.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.403 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.66 -51.73 58.9 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.793 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.24 -41.24 90.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.01 92.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.607 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.23 76.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -62.82 -12.02 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.619 0.247 . . . . 0.0 111.577 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.3 m -99.26 -43.65 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 111.267 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.71 -33.83 17.4 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 71.5 mm-40 -55.5 -50.25 87.93 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -70.96 -11.84 29.82 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.931 1.754 . . . . 0.0 112.414 174.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 8.4 tt -84.17 -41.24 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 13.0 p -70.81 -26.96 63.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.278 0.561 . . . . 0.0 109.919 175.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 64' ' ' LYS . . . -67.96 -9.91 49.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.278 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 59' ' ' LEU . 68.2 mttm -69.25 -30.99 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 110.219 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 37.8 m-85 -76.44 -57.94 3.57 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 6.1 mtmp? 65.26 -178.35 0.18 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.309 -174.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -86.53 71.59 10.39 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.456 0.646 . . . . 0.0 110.811 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.67 -61.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.681 0.753 . . . . 0.0 110.079 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 90' ' ' LYS . . . -143.34 -89.32 0.13 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.754 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 87' ' ' ASP . . . -119.47 33.42 4.67 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.873 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 85' ' ' THR . 3.7 m -91.37 98.9 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.238 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -94.41 121.21 35.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.276 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -108.7 93.99 4.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.09 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 23.7 tptm -106.96 114.52 28.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.085 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 mt -97.74 110.01 22.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.99 0.424 . . . . 0.0 110.771 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 81' ' ' GLN . 28.9 p -101.89 112.0 24.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.139 0.495 . . . . 0.0 110.702 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -95.33 103.06 14.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.561 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.16 59.32 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.143 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.3 t70 76.83 -57.6 0.53 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.556 169.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -114.75 -14.52 11.99 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.136 0.493 . . . . 0.0 111.317 -172.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -146.44 152.53 39.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.09 121.8 42.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.544 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' HB3' ' OG1' ' A' ' 74' ' ' THR . 43.7 tt0 -103.97 123.24 46.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.19 91.34 7.69 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 9.9 m120 -78.82 89.8 4.66 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 35' ' ' SER . 39.4 t -104.54 130.88 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -173.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' VAL . 27.3 m -122.04 112.46 18.28 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -107.57 98.08 6.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.683 0.277 . . . . 0.0 111.161 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.608 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.0 m-20 -70.75 111.01 5.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.124 0.488 . . . . 0.0 110.033 172.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 52.1 mtt -84.31 11.4 8.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.788 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.38 -13.27 58.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.935 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 38.4 ttmt -155.5 42.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.371 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -67.1 104.31 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.813 176.451 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -81.29 95.31 6.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 96' ' ' LEU . 62.8 m-85 -69.36 -0.9 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.56 -176.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -87.62 -38.01 16.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.68 27.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.278 0.561 . . . . 0.0 109.695 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 93' ' ' PHE . 7.4 tt -72.27 -7.2 48.09 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.678 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.89 -24.68 64.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.342 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.16 -1.69 78.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.177 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.478 HG13 ' HG ' ' A' ' 96' ' ' LEU . 10.8 pt -142.47 -155.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 122.784 0.434 . . . . 0.0 109.873 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.56 ' HA ' HD21 ' A' ' 96' ' ' LEU . 11.5 p -176.81 -57.0 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.344 0.592 . . . . 0.0 111.02 175.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.38 -36.67 3.51 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -172.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.4 mt -91.43 83.18 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -79.16 29.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.006 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 56.2 t -90.36 -54.83 6.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.9 m -152.73 114.08 4.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.172 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.83 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.238 0.542 . . . . 0.0 109.603 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -53.72 -50.98 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.443 173.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 111' ' ' LYS . 4.4 t70 -70.42 -26.97 63.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.532 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' A' ' 113' ' ' ILE . . . -67.57 -53.93 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -74.34 -4.64 37.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.617 0.722 . . . . 0.0 110.443 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 108' ' ' ASP . 59.4 tttt -82.77 -13.65 55.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.188 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.9 102.77 1.83 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 109' ' ' ALA . 48.6 mm -74.32 117.63 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.731 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 44.4 p -105.77 -178.46 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.988 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -42.92 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.99 69.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.791 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.478 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 8.3 mt-30 -65.02 -61.62 2.04 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.512 ' HG3' HG21 ' A' ' 30' ' ' VAL . 8.4 mmt -42.16 -48.52 4.82 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -57.65 -61.52 2.45 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.56 -24.49 61.12 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.733 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 117' ' ' GLN . 5.0 t -80.67 -40.44 19.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.928 -177.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.49 ' HA ' ' HD2' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -66.15 -35.26 79.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.319 0.581 . . . . 0.0 109.773 172.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.39 -31.0 65.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.848 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.59 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.23 -17.78 38.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.648 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 78.15 49.66 6.76 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.94 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HD2' ' HA ' ' A' ' 122' ' ' MET . 37.8 m-85 -78.75 177.54 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.987 0.423 . . . . 0.0 111.122 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -115.11 123.06 47.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.8 127.52 33.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.13 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.8 t -88.59 -44.8 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 32.5 tttp 59.82 102.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.648 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.432 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 2.0 pp -80.95 -2.0 45.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.939 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.56 65.52 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.652 0.739 . . . . 0.0 110.52 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -145.71 12.12 1.29 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -130.95 88.94 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.065 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -60.43 125.13 22.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.191 0.519 . . . . 0.0 111.879 -175.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -64.81 120.75 13.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 59.3 t60 61.77 94.48 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.961 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.0 t60 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.434 175.772 . . . . . . . . 0 0 . 1 stop_ save_